SCHEMBL7108654

SCHEMBL7108654

OCCOc1cccc2c(OCCO)cccc12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.68
HTR1B P28222 8/20 0.53
HTR1D P28221 2/20 0.53
ALDH1A1 P00352 3/20 0.48
RECQL P46063 1/20 0.48
CNR2 P34972 3/20 0.46
CNR1 P21554 2/20 0.46
KCNA3 P22001 1/20 0.46
KDM4E B2RXH2 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A4 P31645 2/20 0.43
HRH1 P35367 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2C19 P33261 1/20 0.43
HPGD P15428 1/20 0.42
JAK2 O60674 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 1/20 0.41
MAPT P10636 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30498761 1.00 IDO1 (0.68) IDO1HTR1BHTR1DALDH1A1RECQL
SCHEMBL12603985 0.91 IDO1 (0.81) IDO1HTR1BHTR1DALDH1A1RECQL
SCHEMBL14537076 0.90 IDO1 (0.58) IDO1HTR1BHTR1DALDH1A1CNR2
SCHEMBL3922118 0.90 IDO1 (0.79) IDO1HTR1BHTR1DALDH1A1RECQL
SCHEMBL5574264 0.87 KMT2A (0.55) IDO1HTR1BHTR1DALDH1A1CNR2
SCHEMBL1023529 0.87 HTR1B (0.70) IDO1HTR1BHTR1DALDH1A1KCNA3
SCHEMBL9700638 0.86 CNR2 (0.58) IDO1HTR1BHTR1DALDH1A1CNR2
SCHEMBL5161287 0.86 HTR1B (0.68) IDO1HTR1BHTR1DALDH1A1KCNA3
SCHEMBL5161278 0.86 HTR1B (0.68) IDO1HTR1BHTR1DALDH1A1KCNA3
SCHEMBL28852559 0.85 HTR1B (0.58) IDO1HTR1BHTR1DALDH1A1CNR2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 37 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0268037-B1 3-TERT-BUTYL- AND, 3-TERT-BUTYL-5-ALKYL-4-HYDROXYPHENYL ALCANOIC ACID ESTER WITH OXETHYLATES OF POLYHYDROXY AROMATIC COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AS STABILIZER HÜLS AKTIENGESELLSCHAFT (DE) 1992-01-29 EP claimed
US-4859790-A Esters of 3-tert-butyl- and 3-tert-butyl-5-alkyl-4-hydroxyphenyl (alkane) carboxylic acids with oxethylates of polyhydroxyaromatics, process for their production, and their use as stabilizers HUELS AKTIENGESELLSCHAFT (DE) 1989-08-22 US claimed
EP-4219588-A1 POLYCARBONATE RESIN, PRODUCTION METHOD THEREFOR, AND OPTICAL MOLDED BODY Mitsubishi Gas Chemical Company, Inc. (JP) 2023-08-02 EP disclosed
EP-3750939-A1 POLYCARBONATE RESIN, PRODUCTION METHOD THEREFOR, AND OPTICAL MOLDED BODY Mitsubishi Gas Chemical Company, Inc. (JP) 2020-12-16 EP disclosed
EP-2918621-B1 POLYCARBONATE RESIN, PRODUCTION METHOD THEREFOR, AND OPTICAL MOLDED BODY MITSUBISHI GAS CHEMICAL CO (JP) 2020-09-09 EP disclosed
EP-2918259-B1 Dental composition based on condensed aromatic compounds DENTSPLY DETREY GMBH (DE) 2019-01-02 EP disclosed
EP-2918259-B1 Dental composition based on condensed aromatic compounds DENTSPLY DETREY GMBH (DE) 2019-01-02 EP disclosed
US-9360593-B2 Polycarbonate resin, production method therefor, and optical molded body MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2016-06-07 US disclosed
US-20150285954-A1 POLYCARBONATE RESIN, PRODUCTION METHOD THEREFOR, AND OPTICAL MOLDED BODY MITSUBISHI GAS CHEMICAL COMPANY, INC. (JP) 2015-10-08 US disclosed
WO-2015135957-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2015-09-17 WO disclosed
WO-2015135957-A1 DENTAL COMPOSITION DENTSPLY DETREY GMBH (DE) 2015-09-17 WO disclosed
US-4600752-A Easy-flowing impact-resistant polyamide modified with oxycarbonyl isocyanate BAYER AKTIENGESELLSCHAFT (DE) 1986-07-15 US disclosed
US-4546136-A Organotin-containing composition for the stabilization of polymers of vinyl chloride AKZO N.V. (NL) 1985-10-08 US disclosed
EP-0129264-A2 Organotin-containing composition for the stabilization of polymers or copolymers of vinyl chloride AKZO N.V. (NL) 1984-12-27 EP disclosed
EP-0043928-B1 MOBILE, SHOCK-RESISTANT POLYAMIDE AND MOULDED BODIES FORMED THEREFROM BAYER AG (DE) 1984-08-08 EP disclosed
EP-0030289-B1 BETA-HYDROXY-BUTYRIC ACID POLYESTERS, PROCESS FOR THEIR PREPARATION AND THEIR USE IN VARNISHING MATERIAL BAYER AG (DE) 1983-05-04 EP disclosed
US-4324880-A TRANSESTERIFICATION WITH POLYOL BAYER AKTIENGESELLSCHAFT (DE) 1982-04-13 US disclosed
EP-0043928-A2 Mobile, shock-resistant polyamide and moulded bodies formed therefrom BAYER AG (DE) 1982-01-20 EP disclosed
EP-0030289-A2 Beta-hydroxy-butyric acid polyesters, process for their preparation and their use in varnishing material BAYER AG (DE) 1981-06-17 EP disclosed
US-4005056-A Process for the preparation of polyhydantoins and polyparanic acids BAYER AKTIENGESELLSCHAFT (DT) 1977-01-25 US disclosed