SCHEMBL10347016

SCHEMBL10347016

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](N)CO

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.64
▸ THRB P10828 1/20 0.64
▸ CYP2C9 P11712 1/20 0.64
▸ CYP2C19 P33261 1/20 0.64
▸ HSD17B10 Q99714 1/20 0.64
▸ OPRK1 P41145 1/20 0.53
▸ ATM Q13315 1/20 0.52
▸ POLB P06746 1/20 0.50
▸ BIRC2 Q13490 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ LMNA P02545 1/20 0.48
▸ GLA P06280 1/20 0.48

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
Hydrochloric Acid SCHEMBL10347013 0.99 ALDH1A1 (0.62) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL8085197 0.93 ALDH1A1 (0.60) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL8212986 0.93 ALDH1A1 (0.73) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10346848 0.91 ALDH1A1 (0.57) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10347071 0.89 ALDH1A1 (0.56) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL7146204 0.89 ALDH1A1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL27486872 0.89 ALDH1A1 (0.61) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL28591 0.89 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL10625481 0.89 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
Aspartame SCHEMBL8091203 0.89 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10

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
EP-0186292-B1 TRIPEPTIDES AND SWEETENING AGENTS CONTAINING THE SAME AJINOMOTO CO., INC. (JP) 1990-05-16 — — EP disclosed
US-4780528-A Tripeptides and sweetening agents containing the same AJINOMOTO CO., INC. (JP) 1988-10-25 — — US disclosed
EP-0186292-A2 Tripeptides and sweetening agents containing the same AJINOMOTO CO., INC. (JP) 1986-07-02 — — EP disclosed
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