SCHEMBL16045306

SCHEMBL16045306

CC(C)Cc1ccc(C(=O)S)c(C(=O)S)c1CC(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.35
GABRB2 P47870 2/20 0.35
ALDH1A1 P00352 3/20 0.32
HPGD P15428 2/20 0.32
PTGS1 P23219 3/20 0.31
PTGS2 P35354 3/20 0.31
LMNA P02545 3/20 0.31
CYP2C9 P11712 2/20 0.31
AKR1C3 P42330 2/20 0.31
CXCR1 P25024 2/20 0.31
CXCR2 P25025 2/20 0.31
ADRB3 P13945 2/20 0.31
ALB P02768 1/20 0.31
ESR1 P03372 1/20 0.31
ALOX5 P09917 1/20 0.31
RARB P10826 1/20 0.31
NFKB1 P19838 1/20 0.31
HTR2A P28223 1/20 0.31
NR1I3 Q14994 1/20 0.31
SLC22A6 Q4U2R8 1/20 0.31

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
SCHEMBL77326 0.78 LMNA (0.39) GABRA1GABRB2ALDH1A1HPGDPTGS1
SCHEMBL6438741 0.75 GABRA1 (0.34) GABRA1GABRB2ALDH1A1HPGDPTGS1
SCHEMBL10882406 0.74 ALDH1A1 (0.35) GABRA1GABRB2ALDH1A1HPGDLMNA
SCHEMBL28772233 0.73 LMNA (0.36) GABRA1GABRB2ALDH1A1HPGDPTGS1
Phthalic Acid SCHEMBL31462355 0.73 ALDH1A1 (0.44) ALDH1A1HPGDLMNAAKR1C3ADRB3
Phthalic Acid SCHEMBL29113646 0.73 ALDH1A1 (0.44) ALDH1A1HPGDLMNAAKR1C3ADRB3
SCHEMBL11146352 0.72 CDK4 (0.41) ALDH1A1HPGDLMNACXCR1CXCR2
SCHEMBL18489550 0.72 CDK4 (0.38) ALDH1A1HPGDLMNAADRB3MEN1
SCHEMBL15434659 0.72 GABRA1 (0.48) GABRA1GABRB2ALDH1A1HPGDLMNA
SCHEMBL6443243 0.71 LMNA (0.39) GABRA1GABRB2ALDH1A1HPGDPTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2969201-B1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORP USA (US) 2022-05-04 EP claimed
EP-2969201-B1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORP USA (US) 2022-05-04 EP disclosed
US-9790291-B2 Non-phthalate compounds as electron donors for polyolefin catalysts FORMOSA PLASTICS CORPORATION, USA (US) 2017-10-17 US disclosed
EP-2969201-A2 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS Formosa Plastics Corporation, U.S.A. (US) 2016-01-20 EP disclosed
WO-2014160012-A2 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORPORATION, USA (US) 2014-10-02 WO disclosed
US-20140275456-A1 NON-PHTHALATE COMPOUNDS AS ELECTRON DONORS FOR POLYOLEFIN CATALYSTS FORMOSA PLASTICS CORPORATION, USA (US) 2014-09-18 US disclosed