SCHEMBL5990920

SCHEMBL5990920

CCc1ccc(O)c(Oc2ccccc2C)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 1/20 0.48
KDM4E B2RXH2 2/20 0.43
USP2 O75604 2/20 0.43
ALDH1A1 P00352 2/20 0.43
GAA P10253 2/20 0.43
MAPT P10636 2/20 0.43
ALOX12 P18054 2/20 0.43
HTT P42858 2/20 0.43
HSD17B10 Q99714 2/20 0.43
POLB P06746 2/20 0.43
PSMD14 O00487 1/20 0.43
F2 P00734 1/20 0.41
TSHR P16473 2/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAPK1 P28482 1/20 0.40
TAAR1 Q96RJ0 1/20 0.40

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
SCHEMBL7549024 0.89 TTR (0.49) TRPA1
SCHEMBL6901893 0.88 TRPA1 (0.61) TRPA1ALDH1A1GAAPOLBF2
SCHEMBL5990449 0.82 AR (0.50) KDM4EHTTPOLBMEN1KMT2A
SCHEMBL17878467 0.82 AR (0.57) KDM4EHTTKMT2ASMN1; SMN2
SCHEMBL2914999 0.81 F2 (0.43) F2TSHRMAPK1TAAR1ALOX15
SCHEMBL4525681 0.81 TTR (0.56) TRPA1KDM4EHSD17B10F2
SCHEMBL7551950 0.79 TTR (0.53) TRPA1
SCHEMBL2865455 0.79 MAOB (0.53) GAATSHRMEN1NPC1RAB9A
SCHEMBL981248 0.78 TSHR (0.54) TRPA1KDM4EALDH1A1GAAMAPT
SCHEMBL28385292 0.78 PKM (0.47) TRPA1ALDH1A1MAPTNPC1RAB9A

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