SCHEMBL8613610

SCHEMBL8613610

CC(C)C[C@H](N)C(=O)NCCc1ccccc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.63
KMT2A Q03164 2/20 0.56
MEN1 O00255 1/20 0.56
TSHR P16473 1/20 0.56
MMP8 P22894 1/20 0.56
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
POLB P06746 1/20 0.55
LARS1 Q9P2J5 1/20 0.54
PSMB1 P20618 1/20 0.53
PSMB5 P28074 1/20 0.53
PSMB2 P49721 1/20 0.53
RNPEP Q9H4A4 1/20 0.52
DNPEP Q9ULA0 1/20 0.52
THRB P10828 1/20 0.52
EPHX1 P07099 1/20 0.51

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
SCHEMBL13073874 1.00 ANPEP (0.63) ANPEPKMT2AMEN1TSHRMMP8
Hydrochloric Acid SCHEMBL8617103 0.98 ANPEP (0.61) ANPEPKMT2AMEN1TSHRMMP8
SCHEMBL10960492 0.87 KDM4E (0.55) ANPEPMMP8
Hydrochloric Acid SCHEMBL11142777 0.85 HDAC8 (0.56) ANPEPMMP8
SCHEMBL8895419 0.85 AAK1 (0.56) ANPEPMMP8LARS1
SCHEMBL24322367 0.84 POLB (0.54) KMT2ACYP2D6CYP2C9CYP2C19POLB
SCHEMBL22522245 0.84 KMT2A (0.59) ANPEPKMT2AMEN1MMP8LARS1
SCHEMBL1792751 0.84 KMT2A (0.59) ANPEPKMT2AMEN1MMP8LARS1
SCHEMBL11710494 0.84 POLB (0.54) KMT2ACYP2D6CYP2C9CYP2C19POLB
SCHEMBL4743866 0.84 KMT2A (0.59) ANPEPKMT2AMEN1MMP8LARS1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0838471-A1 PEPTIDE DERIVATIVES AND ANGIOTENSIN IV RECEPTOR AGONIST SAGAMI CHEMICAL RESEARCH CENTER (JP) 1998-04-29 EP disclosed
EP-0126974-B1 CARBOXYALKYL PEPTIDE DERIVATIVES G.D. Searle & Co. (US) 1988-06-15 EP disclosed
US-4568666-A COLLAGENASE INHIBITORS, ANTIARTJRITIC AGENTS G. D. SEARLE & CO. (US) 1986-02-04 US disclosed
US-4511504-A COLLAGENASE INHIBITORS G.D. SEARLE & CO. (US) 1985-04-16 US disclosed
EP-0126974-A1 Carboxyalkyl peptide derivatives G.D. Searle & Co. (US) 1984-12-05 EP disclosed