SCHEMBL11044764

SCHEMBL11044764

COc1ccc(Cl)c(C)c1C=O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.44
HPGD P15428 3/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP1A2 P05177 2/20 0.44
ERN1 O75460 6/20 0.43
TSHR P16473 2/20 0.41
LMNA P02545 1/20 0.40
MEN1 O00255 4/20 0.39
KMT2A Q03164 4/20 0.39
TDP1 Q9NUW8 1/20 0.39
NPSR1 Q6W5P4 3/20 0.38
RAB9A P51151 3/20 0.38
MAPT P10636 2/20 0.38
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
S1PR4 O95977 1/20 0.38
HSP90AA1 P07900 1/20 0.38
G6PD P11413 1/20 0.38
S1PR1 P21453 1/20 0.38

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
SCHEMBL13101273 0.84 ALDH1A1 (0.46) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL8902570 0.84 ERN1 (0.48) ALDH1A1HPGDERN1TSHRTDP1
SCHEMBL2415640 0.82 ERN1 (0.44) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL4533993 0.81 ERN1 (0.43) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL9714789 0.80 ERN1 (0.46) ALDH1A1HPGDERN1TSHRTDP1
SCHEMBL31395445 0.79 ERN1 (0.42) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL21884803 0.79 ERN1 (0.50) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL275497 0.79 ERN1 (0.42) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL17541048 0.79 ERN1 (0.42) ALDH1A1HPGDCYP2C9CYP2C19CYP1A2
SCHEMBL6663239 0.79 ALDH1A1 (0.54) ALDH1A1TSHRLMNAMEN1KMT2A

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
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
WO-2019063748-A1 ROR-GAMMA INHIBITORS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2019-04-04 WO disclosed
US-4448971-A Hypoglycemic 5-phenyl-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1984-05-15 US disclosed
US-4407811-A Hypoglycemic 5-substituted oxazolidine-2,4-diones PFIZER INC. (US) 1983-10-04 US disclosed
US-4399296-A TRIMETHYLSILYL CYANOHYDRIN INTERMEDIATES PFIZER INC. (US) 1983-08-16 US disclosed
US-4367234-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1983-01-04 US disclosed