SCHEMBL8079696

SCHEMBL8079696

CCOC(=O)CC(C)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.52
POLB P06746 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.50
CYP2C19 P33261 1/20 0.47
HIF1A Q16665 1/20 0.47
PPID Q08752 1/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
TSHR P16473 2/20 0.44
PIN1 Q13526 1/20 0.44
ALDH1A1 P00352 3/20 0.42
CYP4F2 P78329 1/20 0.42
CYP4A11 Q02928 1/20 0.42
CHRM2 P08172 1/20 0.42
CHRM4 P08173 1/20 0.42
CHRM5 P08912 1/20 0.42
CHRM1 P11229 1/20 0.42
CHRM3 P20309 1/20 0.42
MMP8 P22894 1/20 0.42

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
SCHEMBL21447568 0.86 HSD11B1 (0.52) HSD11B1POLBSMN1; SMN2CYP2C19HIF1A
SCHEMBL5972547 0.86 CYP2C19 (0.61) HSD11B1POLBSMN1; SMN2CYP2C19HIF1A
SCHEMBL313012 0.84 POLB (0.55) HSD11B1POLBSMN1; SMN2CYP2C19HIF1A
SCHEMBL5972813 0.84 SMN1; SMN2 (0.51) HSD11B1POLBSMN1; SMN2CYP2C19HIF1A
SCHEMBL28100629 0.83 HSD11B1 (0.50) HSD11B1POLBSMN1; SMN2CYP2C19HIF1A
SCHEMBL4619371 0.82 SMN1; SMN2 (0.54) HSD11B1POLBSMN1; SMN2CYP2C19HIF1A
SCHEMBL28549853 0.82 SMN1; SMN2 (0.50) HSD11B1POLBSMN1; SMN2CYP2C19HIF1A
SCHEMBL8695219 0.81 KCNN4 (0.50) POLBSMN1; SMN2CYP2C19HIF1AKMT2A
SCHEMBL11839587 0.81 SMN1; SMN2 (0.49) HSD11B1POLBSMN1; SMN2CYP2C19HIF1A
SCHEMBL28137288 0.81 SMN1; SMN2 (0.49) HSD11B1POLBSMN1; SMN2CYP2C19HIF1A

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
CN-1070841-C Carboxylic acid derivatives, their prepn. and their use BASF AG (DE) 2001-09-12 CN disclosed
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
CN-1200720-A Carboxylic acid derivatives, their preparation and use BASF AG (DE) 1998-12-02 CN 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