SCHEMBL11118737

SCHEMBL11118737

COc1c(CC(=O)O)cccc1Oc1ccc(Cl)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM1 P11229 1/20 0.48
PPARA Q07869 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
CXCL8 P10145 1/20 0.47
POLB P06746 1/20 0.47
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
LMNA P02545 1/20 0.46
NPC1 O15118 1/20 0.46
HTR2A P28223 2/20 0.46
SLC6A4 P31645 2/20 0.46
SLC6A2 P23975 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HSD17B10 Q99714 1/20 0.44
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP12 P39900 1/20 0.44
MMP13 P45452 1/20 0.44

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
SCHEMBL11173910 0.89 MEN1 (0.53) FABP4FABP5CXCL8MEN1KMT2A
SCHEMBL11119661 0.87 SLC6A4 (0.50) CHRM1FABP4FABP5CXCL8MEN1
SCHEMBL872958 0.83 CXCL8 (0.67) CHRM1PPARAFABP4FABP5CXCL8
SCHEMBL11120421 0.82 CXCL8 (0.71) CHRM1FABP4FABP5CXCL8MEN1
SCHEMBL11121989 0.82 CHRM1 (0.51) CHRM1PPARAFABP4FABP5CXCL8
Ammonia Solution, Strong SCHEMBL872909 0.81 CHRM1 (0.65) CHRM1PPARAFABP4FABP5CXCL8
SCHEMBL29639215 0.81 KMT2A (0.54) FABP4FABP5MEN1KMT2ANPC1
SCHEMBL991380 0.81 KMT2A (0.54) FABP4FABP5MEN1KMT2ANPC1
SCHEMBL11121247 0.80 HTT (0.51) CHRM1FABP4FABP5CXCL8POLB
SCHEMBL11123672 0.80 SLC6A4 (0.50) PPARAPOLBMEN1KMT2ANPC1

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-0033614-B1 PHENYLALKANOIC ACID DERIVATIVES, PROCESSES FOR THE PREPARATION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1984-06-06 EP disclosed
US-4367238-A ANTIINFLAMMATORY AGENTS, ANALGESICS FUJISAWA PHARMACEUTICAL COMPANY, LTD. (JP) 1983-01-04 US disclosed
EP-0033614-A1 Phenylalkanoic acid derivatives, processes for the preparation thereof and pharmaceutical compositions containing them FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1981-08-12 EP disclosed