SCHEMBL8972583

SCHEMBL8972583

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

nearest known ligand 0.67

Predicted protein targets (top 14)

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
BIRC2 Q13490 1/20 0.61
CAPN1 P07384 2/20 0.60
REN P00797 1/20 0.57
CPA1 P15085 1/20 0.56
CPB1 P15086 1/20 0.56
CPA2 P48052 1/20 0.56
CPA4 Q9UI42 1/20 0.56
ACE2 Q9BYF1 1/20 0.56
ATM Q13315 1/20 0.55

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
SCHEMBL12563719 1.00 ALDH1A1 (0.64) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL23616326 0.91 ALDH1A1 (0.66) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL27488362 0.91 ALDH1A1 (0.68) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL3734223 0.91 ALDH1A1 (0.68) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL15692334 0.88 MME (0.65) ALDH1A1CPA1CPB1CPA2CPA4
SCHEMBL30777486 0.88 MME (0.65) ALDH1A1CPA1CPB1CPA2CPA4
SCHEMBL1879654 0.88 ATM (0.68) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL803579 0.88 ATM (0.68) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL1884230 0.88 ATM (0.68) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL15290564 0.88 PSMB5 (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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0543310-B1 Dipeptide derivative and prophylactic and therapeutic agent for bone diseases containing the same SUNTORY LTD (JP) 1996-03-27 EP disclosed
US-5395824-A Dipeptide derivative and prophylactic and therapeutic agent for bone diseases containing the same SUNTORY LIMITED (JP) 1995-03-07 US disclosed