SCHEMBL7704968

SCHEMBL7704968

C[C@H](C(=O)O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 10/20 0.71
PTGS1 P23219 8/20 0.71
CXCR1 P25024 4/20 0.71
CXCR2 P25025 4/20 0.71
LMNA P02545 4/20 0.71
ALDH1A1 P00352 3/20 0.71
HPGD P15428 3/20 0.71
MAPT P10636 2/20 0.71
SMN1; SMN2 Q16637 2/20 0.71
KDM4E B2RXH2 2/20 0.71
CYP3A4 P08684 2/20 0.71
PMP22 Q01453 2/20 0.71
SLC22A6 Q4U2R8 2/20 0.71
CXCL8 P10145 2/20 0.71
RECQL P46063 1/20 0.71
MAPK1 P28482 1/20 0.71
HSD17B10 Q99714 1/20 0.71
THPO P40225 1/20 0.71
HIF1A Q16665 1/20 0.71
CYP2C9 P11712 5/20 0.63

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
SCHEMBL5313395 1.00 PTGS2 (0.71) PTGS2PTGS1CXCR1CXCR2LMNA
Benzophenone SCHEMBL28643466 0.94 PTGS2 (0.79) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL801382 0.90 PTGS2 (0.59) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL6343087 0.88 PTGS2 (0.66) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL8021929 0.86 PTGS2 (0.54) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL4255166 0.86 LMNA (0.58) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL8523458 0.85 PTGS2 (0.67) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL11705293 0.85 PTGS2 (0.62) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL11705299 0.85 PTGS2 (0.62) PTGS2PTGS1CXCR1CXCR2LMNA
SCHEMBL21897438 0.85 PTGS2 (0.77) PTGS2PTGS1CXCR1CXCR2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6365398-B1 REACTING RACEMIC CARBOXYLIC ACID ESTER WITH RACEMIC ALCOHOL IN PRESENCE OF A CARBOXYL ESTER HYDROLASE BASF AKTIENGESELLSCHAFT (DE) 2002-04-02 US disclosed