SCHEMBL8090992

SCHEMBL8090992

COc1ccc(C(C)(CC(=O)O)c2ccc(OC)c(C)c2)cc1C

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC13A5 Q86YT5 1/20 0.44
FFAR1 O14842 2/20 0.43
FFAR2 O15552 1/20 0.43
FFAR4 Q5NUL3 1/20 0.43
VDR P11473 1/20 0.42
CYP19A1 P11511 1/20 0.42
ALDH1A1 P00352 2/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
GAA P10253 2/20 0.41
HSD17B10 Q99714 1/20 0.41
CYP2C19 P33261 2/20 0.40
MRGPRX4 Q96LA9 1/20 0.40
GRK6 P43250 1/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL6535890 0.87 SLC13A5 (0.44) SLC13A5FFAR1FFAR2FFAR4VDR
SCHEMBL8747124 0.83 TSHR (0.54) VDRALDH1A1KDM4ELMNAGAA
SCHEMBL6086103 0.78 FFAR1 (0.46) FFAR1FFAR2FFAR4VDRCYP19A1
SCHEMBL4238030 0.78 ESR1 (0.55) VDRALDH1A1CYP2C19HIF1A
SCHEMBL29690460 0.78 ESR1 (0.55) VDRALDH1A1CYP2C19HIF1A
SCHEMBL3753644 0.78 AKR1C3 (0.49) FFAR1FFAR2FFAR4VDRCYP19A1
SCHEMBL8647874 0.78 VDR (0.44) VDRCYP19A1KDM4EGAATAS1R3
SCHEMBL8091112 0.76 ALDH1A1 (0.51) ALDH1A1LMNAHSD17B10CYP2C19HIF1A
SCHEMBL16276503 0.76 VDR (0.45) VDRCYP19A1ALDH1A1KDM4EHSD17B10
SCHEMBL21350347 0.75 CA12 (0.50) SLC13A5ALDH1A1KDM4ELMNAGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0862550-B1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AG (DE) 2000-11-08 EP disclosed
US-6004988-A Carboxylic acid derivatives, their preparation and their use BASF AKTIENGESELLSCHAFT (DE) 1999-12-21 US disclosed
EP-0862550-A1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1998-09-09 EP disclosed
WO-1997009294-A1 CARBOXYLIC ACID DERIVATIVES, THEIR PREPARATION AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed