SCHEMBL492029

SCHEMBL492029

CC(CCc1ccccc1)OS(C)(=O)=O

nearest known ligand 0.73

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP24A1 Q07973 1/20 0.50
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 1/20 0.49
CYP2C9 P11712 1/20 0.49
CYP2C19 P33261 1/20 0.49
BLM P54132 1/20 0.46
POLB P06746 3/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MCL1 Q07820 1/20 0.44
NR3C1 P04150 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
MEN1 O00255 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
HPGD P15428 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA9 Q16790 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
SCHEMBL10473393 0.90 POLB (0.47) CYP24A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7357942 0.90 POLB (0.47) CYP24A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL10406021 0.90 POLB (0.47) CYP24A1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL22441312 0.83 TAAR1 (0.47) MEN1KMT2A
SCHEMBL3589541 0.83 TAAR1 (0.47) MEN1KMT2A
SCHEMBL21378558 0.83 TAAR1 (0.47) MEN1KMT2A
SCHEMBL16825856 0.83 CYP24A1 (0.42) CYP24A1KMT2ACA1CA2CA9
SCHEMBL29239476 0.80 TSHR (0.42) CYP24A1ALDH1A1CYP2C19TSHRSMN1; SMN2
SCHEMBL27611357 0.79 CA12 (0.49) POLBTSHRKDM4EHTTHPGD
SCHEMBL6171187 0.78 PPARG (0.52) CYP24A1BLMTSHR

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 15 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2019818-B1 PROCESS FOR THE PRODUCTION OF COMPOUNDS VIA HAZARDOUS INTERMEDIATES IN A SERIES OF MICROREACTORS DPX HOLDINGS BV (NL) 2020-03-18 EP disclosed
US-8961892-B2 Device for carrying out chemical reactions under homogenous and heterogenous conditions DSM IP ASSETS B.V. (NL) 2015-02-24 US disclosed
EP-2440325-A1 DEVICE FOR CARRYING OUT CHEMICAL REACTIONS UNDER HOMOGENOUS AND HETEROGENEOUS CONDITIONS DSM IP Assets B.V. (NL) 2012-04-18 EP disclosed
US-20120077992-A1 DEVICE FOR CARRYING OUT CHEMICAL REACTIONS UNDER HOMOGENOUS AND HETEROGENOUS CONDITIONS DSM IP ASSETS, B.V. (NL) 2012-03-29 US disclosed
US-8106242-B2 Process for the production of compounds via hazardous intermediates in a series of microreactors DSM IP ASSETS B.V. (NL) 2012-01-31 US disclosed
WO-2010142809-A1 DEVICE FOR CARRYING OUT CHEMICAL REACTIONS UNDER HOMOGENOUS AND HETEROGENEOUS CONDITIONS DSM IP ASSETS B.V. (NL) 2010-12-16 WO disclosed
EP-2260937-A1 Device for processing and conditioning of material transported through the device DSM IP Assets B.V. (NL) 2010-12-15 EP disclosed
US-20100029990-A1 PROCESS FOR THE PRODUCTION OF COMPOUNDS VIA HAZARDOUS INTERMEDIATES IN A SERIES OF MICROREACTORS PATHEON HOLDINGS I B.V. (NL) 2010-02-04 US disclosed
EP-2019818-A2 PROCESS FOR THE PRODUCTION OF COMPOUNDS VIA HAZARDOUS INTERMEDIATES IN A SERIES OF MICROREACTORS DSMIP Assets B.V. (NL) 2009-02-04 EP disclosed
WO-2007134847-A2 PROCESS FOR THE PRODUCTION OF COMPOUNDS VIA HAZARDOUS INTERMEDIATES IN A SERIES OF MICROREACTORS DSM IP ASSETS B.V. (NL) 2007-11-29 WO disclosed
US-4920221-A CENTRAL NERVOUS SYSTEM ACTIVE AGENTS PFIZER INC. (US) 1990-04-24 US disclosed
EP-0219350-A2 Ethanolamine compounds GLAXO GROUP LIMITED (GB) 1987-04-22 EP disclosed
US-4642373-A Substituted dodecahydrotripheylenes, and decahydropyrrolo[1,2-f]phenanthridines as CNS agents PFIZER INC. (US) 1987-02-10 US disclosed
US-4476131-A ANTIEMETICS, ANALGESICS PFIZER INC. (US) 1984-10-09 US disclosed
US-4473704-A ANALGESICS, ANTIEMETICS PFIZER INC. (US) 1984-09-25 US disclosed