SCHEMBL5989736

SCHEMBL5989736

CCc1ccc(O)c(-c2nccs2)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRA P10827 1/20 0.46
THRB P10828 1/20 0.46
TRPA1 O75762 1/20 0.46
ADRB2 P07550 1/20 0.43
LOXL2 Q9Y4K0 1/20 0.42
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PDPK1 O15530 1/20 0.40
CASP6 P55212 1/20 0.39
SMPD3 Q9NY59 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
HPGD P15428 2/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 2/20 0.36
RAB9A P51151 2/20 0.36

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
SCHEMBL5992241 0.87 THRA (0.41) THRATHRBTRPA1ADRB2LOXL2
SCHEMBL19304124 0.81 ADRB2 (0.43) ADRB2LOXL2PPARGPPARDPDPK1
SCHEMBL5991950 0.79 SMPD3 (0.47) ADRB2LOXL2PPARGPPARDPDPK1
SCHEMBL27694738 0.78 ESR1 (0.49) THRATHRBLOXL2PDPK1CASP6
SCHEMBL24988889 0.78 ADRB2 (0.43) ADRB2LOXL2PPARGPPARDPDPK1
SCHEMBL8047684 0.75 TRPA1 (0.70) TRPA1CNR1CNR2PPARGPPARD
SCHEMBL29763176 0.75 TRPA1 (0.70) TRPA1CNR1CNR2PPARGPPARD
SCHEMBL30386577 0.75 CYP19A1 (0.54) THRATHRBSMPD3HPGDNPC1
SCHEMBL8240124 0.74 LOXL2 (0.67) ADRB2LOXL2PDPK1SMPD3ADORA3
SCHEMBL12327235 0.73 TRPA1 (0.47) TRPA1CNR1CNR2PPARGPPARD

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
US-20060257987-A1 Ppar modulators ELI LILLY AND COMPANY 2006-11-16 US disclosed
EP-1660428-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2006-05-31 EP disclosed
WO-2005019151-A1 PPAR MODULATORS ELI LILLY AND COMPANY (US) 2005-03-03 WO disclosed