SCHEMBL9407674

SCHEMBL9407674

COc1ccc(CC(C(N)=O)N(C)C(=O)/C=C(/C)C(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LDHA P00338 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ EPHX1 P07099 1/20 0.39
▸ F2RL1 P55085 1/20 0.39
▸ SLC6A4 P31645 1/20 0.38
▸ PPARG P37231 1/20 0.38
▸ PPARA Q07869 1/20 0.38
▸ FFAR1 O14842 1/20 0.38
▸ TPH1 P17752 1/20 0.37
▸ ACACB O00763 1/20 0.37
▸ TDP1 Q9NUW8 1/20 0.37
▸ CTBP2 P56545 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
SCHEMBL17038560 0.76 SLC6A4 (0.50) LDHAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL19200474 0.75 SLC6A4 (0.49) LDHAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3777215 0.74 LDHA (0.46) LDHAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL7329609 0.72 SLC6A4 (0.46) LDHAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL16078676 0.70 LDHA (0.67) LDHAALDH1A1SLC6A4PPARGPPARA
SCHEMBL19546498 0.70 LDHA (0.57) LDHAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1587128 0.70 LDHA (0.61) LDHAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL3357448 0.70 LDHA (0.61) LDHAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL1587131 0.70 LDHA (0.61) LDHAALDH1A1CYP1A2CYP2D6CYP2C19
SCHEMBL17038559 0.70 SLC6A4 (0.43) LDHAALDH1A1CYP1A2CYP2D6CYP2C19

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-0613883-A1 HYDROXAMIC ACID DERIVATIVE YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1994-09-07 — — EP disclosed
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