SCHEMBL9064202

SCHEMBL9064202

CC(C)(C(=O)O)c1ccc(CBr)c(Cl)c1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.44
AKR1C2 P52895 2/20 0.44
EPHX2 P34913 2/20 0.42
NR1H4 Q96RI1 2/20 0.42
SLC22A12 Q96S37 1/20 0.41
CYP2C19 P33261 1/20 0.40
LTB4R Q15722 4/20 0.39
LTB4R2 Q9NPC1 4/20 0.39
MAP4K4 O95819 2/20 0.39
APP P05067 1/20 0.39
PTGDR Q13258 3/20 0.39
RXRA P19793 1/20 0.35
RXRB P28702 1/20 0.35
RXRG P48443 1/20 0.35

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
SCHEMBL1990423 0.80 EPHX2 (0.39) EPHX2NR1H4CYP2C19
SCHEMBL1626481 0.79 AKR1C3 (0.51) AKR1C3AKR1C2SLC22A12CYP2C19MAP4K4
SCHEMBL4517620 0.79 CYP2C19 (0.43) EPHX2NR1H4CYP2C19RXRARXRB
SCHEMBL9063833 0.76 AKR1C3 (0.49) AKR1C3AKR1C2SLC22A12CYP2C19MAP4K4
SCHEMBL9139847 0.76 LTB4R (0.43) AKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL9063864 0.76 LTB4R (0.42) AKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL9063301 0.76 LTB4R (0.42) AKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL9063294 0.76 LTB4R (0.43) AKR1C3AKR1C2LTB4RLTB4R2
SCHEMBL1626272 0.75 AKR1C3 (0.63) AKR1C3AKR1C2SLC22A12MAP4K4APP
SCHEMBL8848023 0.74 APP (0.44) AKR1C3AKR1C2SLC22A12LTB4RLTB4R2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0641760-B1 PHENYLALKANOIC ACID DERIVATIVE, PRODUCTION THEREOF, AND SEPARATION OF OPTICAL ISOMERS THEREOF HISAMITSU PHARMACEUTICAL CO (JP) 1996-11-06 EP disclosed
US-5434292-A Phenylalkanoic acid derivatives, process for producing the same and process for separating optical isomers thereof HISAMITSU PHARMACEUTICAL CO., INC. (JP) 1995-07-18 US disclosed
EP-0641760-A1 PHENYLALKANOIC ACID DERIVATIVE, PRODUCTION THEREOF, AND SEPARATION OF OPTICAL ISOMERS THEREOF Hisamitsu Pharmaceutical Co., Inc. (JP) 1995-03-08 EP disclosed