SCHEMBL10436049

SCHEMBL10436049

CNC(Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)OC

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.53
▸ THRB P10828 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ HSD17B10 Q99714 1/20 0.53
▸ ATM Q13315 1/20 0.48
▸ POLB P06746 1/20 0.46
▸ BIRC2 Q13490 1/20 0.46
▸ GAA P10253 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ TSHR P16473 1/20 0.45
▸ LMNA P02545 1/20 0.45
▸ GLA P06280 1/20 0.45

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
SCHEMBL9551271 1.00 ALDH1A1 (0.53) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL27342815 1.00 ALDH1A1 (0.53) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Triletide SCHEMBL27342204 0.90 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Triletide SCHEMBL11761127 0.90 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Triletide SCHEMBL9551361 0.90 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9875934 0.90 ALDH1A1 (0.53) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9875926 0.90 ALDH1A1 (0.53) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9551368 0.89 CTSL (0.54) ALDH1A1
SCHEMBL9666956 0.89 CTSL (0.54) ALDH1A1
SCHEMBL9551274 0.89 CTSL (0.54) ALDH1A1

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-0372818-A2 Imidazole-containing peptide and preparation thereof TANABE SEIYAKU CO., LTD. (JP) 1990-06-13 — — EP disclosed
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