SCHEMBL8199784

SCHEMBL8199784

C=C(c1ccc(C(=O)OC)cc1)c1cc(C(C)CO)ccc1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
MAPT P10636 6/20 0.40
LMNA P02545 2/20 0.40
GAA P10253 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ABCB11 O95342 1/20 0.39
CYP2C9 P11712 2/20 0.38
DPP4 P27487 2/20 0.38
RAB9A P51151 2/20 0.38
NPC1 O15118 1/20 0.38
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
CYP4A11 Q02928 1/20 0.37
CA12 O43570 2/20 0.36
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA9 Q16790 2/20 0.36
CA14 Q9ULX7 2/20 0.36
KDM4E B2RXH2 1/20 0.36
CA7 P43166 1/20 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
SCHEMBL14966780 0.79 CA1 (0.52) ALDH1A1MAPTGAATDP1CYP2C9
SCHEMBL13144225 0.73 NPC1 (0.44) ALDH1A1MAPTLMNAGAATDP1
SCHEMBL29498862 0.72 RAB9A (0.45) ALDH1A1MAPTLMNAGAATDP1
SCHEMBL29498865 0.70 HSP90AA1 (0.41) ALDH1A1MAPTLMNATDP1RAB9A
SCHEMBL29498870 0.70 RXRA (0.42) MAPTLMNAGAATDP1RAB9A
SCHEMBL17037473 0.69 MAPT (0.50) ALDH1A1MAPTGAATDP1CYP2C9
SCHEMBL6676922 0.69 TDP1 (0.44) ALDH1A1MAPTLMNAGAATDP1
SCHEMBL31758293 0.68 RXRA (0.73) ABCB11
SCHEMBL2594347 0.68 RXRA (0.73) ABCB11
SCHEMBL14966752 0.68 CYP4A11 (0.51) ALDH1A1MAPTLMNATDP1CYP2C9

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
WO-1999063983-A9 MULTIBINDING AGENTS THAT MODULATE PPARη AND RXR RECEPTORS ADVANCED MEDICINE INC (US) 2000-03-23 WO disclosed