SCHEMBL11200930

SCHEMBL11200930

COc1c(CC(=O)O)sc2ccccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 4/20 0.47
ALOX5 P09917 1/20 0.46
CNR1 P21554 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
KMT2A Q03164 2/20 0.43
PTGER4 P35408 1/20 0.43
PTPN1 P18031 3/20 0.43
PTPN2 P17706 1/20 0.43
SENP5 Q96HI0 1/20 0.42
SENP2 Q9HC62 1/20 0.42
SENP1 Q9P0U3 1/20 0.42
PTGDR2 Q9Y5Y4 3/20 0.42
MAPK1 P28482 1/20 0.42
MAPT P10636 3/20 0.41
GAA P10253 2/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
HPGD P15428 2/20 0.41
NPC1 O15118 1/20 0.41

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
SCHEMBL10741311 0.86 CNR2 (0.46) CNR2ALOX5CNR1LMNAALDH1A1
SCHEMBL6408883 0.80 CNR2 (0.44) CNR2ALOX5CNR1LMNAALDH1A1
SCHEMBL11797301 0.80 KEAP1 (0.49) ALDH1A1KMT2APTGDR2MAPTL3MBTL1
SCHEMBL30693720 0.79 PRNP (0.49) CNR2CNR1LMNAALDH1A1KMT2A
SCHEMBL586189 0.79 PRNP (0.49) CNR2CNR1LMNAALDH1A1KMT2A
SCHEMBL11731930 0.78 PTPN1 (0.46) CNR2LMNAALDH1A1KMT2APTPN1
SCHEMBL10421946 0.77 ALDH1A1 (0.43) CNR2ALOX5CNR1LMNAALDH1A1
SCHEMBL11189813 0.77 MAPT (0.47) LMNAALDH1A1KMT2APTGDR2MAPK1
SCHEMBL11199691 0.77 CNR2 (0.44) CNR2ALOX5CNR1LMNAALDH1A1
SCHEMBL17256179 0.76 LOXL2 (0.61) ALOX5ALDH1A1KMT2APTGDR2MAPT

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
EP-0068563-A2 Heterocyclic acetic acid compounds and compositions for treating bone diseases THE PROCTER & GAMBLE COMPANY (US) 1983-01-05 EP disclosed