SCHEMBL7401701

SCHEMBL7401701

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

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 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
LTA4H P09960 1/20 0.51
MMP1 P03956 1/20 0.50
MME P08473 1/20 0.50
CTSD P07339 1/20 0.50
MMP8 P22894 1/20 0.50

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 SCHEMBL7402096 0.99 ALDH1A1 (0.52) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL9011218 0.90 LTA4H (0.57) LTA4HMMEMMP8
SCHEMBL9011222 0.90 LTA4H (0.57) LTA4HMMEMMP8
SCHEMBL18257521 0.90 CTSB (0.55) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL21244283 0.90 CTSB (0.55) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL16984879 0.90 CTSB (0.55) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL8217520 0.90 ALDH1A1 (0.66) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL17894122 0.90 ALDH1A1 (0.66) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL10901240 0.90 ALDH1A1 (0.66) ALDH1A1THRBCYP2C9CYP2C19HSD17B10
SCHEMBL12563722 0.90 ALDH1A1 (0.66) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0755405-B1 PHOSPHONYLDIPEPTIDES USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES ZAMBON SPA (IT) 1999-08-25 EP disclosed
US-5760285-A METALLOPEPTIDASE INHIBITORS ZAMBON GROUP S.P.A. (IT) 1998-06-02 US disclosed
EP-0755405-A1 PHOSPHONYLDIPEPTIDES USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES ZAMBON GROUP S.p.A. (IT) 1997-01-29 EP disclosed
WO-1995028417-A1 PHOSPHONYLDIPEPTIDES USEFUL IN THE TREATMENT OF CARDIOVASCULAR DISEASES ZAMBON GROUP S.P.A. (IT) 1995-10-26 WO disclosed