SCHEMBL16654745

SCHEMBL16654745

CCc1c(C)oc2cc(O)c(O)cc12

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MCL1 Q07820 6/20 0.46
▸ KDM4E B2RXH2 6/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 4/20 0.46
▸ HSD17B10 Q99714 3/20 0.46
▸ AKR1B1 P15121 3/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ THRB P10828 1/20 0.46
▸ GPR35 Q9HC97 1/20 0.43
▸ GAA P10253 3/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ GLA P06280 2/20 0.40
▸ CASP1 P29466 2/20 0.40
▸ CASP7 P55210 2/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ MAPT P10636 3/20 0.39
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ AKR1B10 O60218 1/20 0.39
▸ USP2 O75604 1/20 0.39

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
SCHEMBL24884734 0.73 MAOB (0.42) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL16654485 0.69 MAPT (0.60) KDM4EALDH1A1HSD17B10CYP3A4GAA
SCHEMBL3887841 0.69 KDR (0.54) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8183283 0.68 CA2 (0.54) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL6833560 0.68 MCL1 (0.74) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL20274266 0.67 MEN1 (0.39) AKR1B1THRBMEN1KMT2A
SCHEMBL24884726 0.67 ALDH1A1 (0.41) KDM4EALDH1A1HPGDHSD17B10CYP3A4
SCHEMBL7963459 0.67 ALDH1A1 (0.45) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL8374891 0.66 HSD17B3 (0.61) MCL1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL11435154 0.66 MCL1 (0.59) MCL1KDM4EALDH1A1HPGDHSD17B10

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-2015057963-A1 FGFR4 INHIBITORS EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-04-23 — — WO disclosed
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