SCHEMBL10934632

SCHEMBL10934632

COC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.57
▸ ALOX15 P16050 1/20 0.57
▸ THRB P10828 1/20 0.56
▸ CYP2C9 P11712 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ HSD17B10 Q99714 1/20 0.56
▸ CTSL P07711 1/20 0.55
▸ CTSB P07858 1/20 0.55
▸ CTSS P25774 1/20 0.55
▸ CTSK P43235 1/20 0.55
▸ TRPM8 Q7Z2W7 1/20 0.54
▸ CYP3A4 P08684 3/20 0.53
▸ TSHR P16473 3/20 0.53
▸ CAPN1 P07384 2/20 0.53
▸ TACR1 P25103 2/20 0.53
▸ MEN1 O00255 1/20 0.52
▸ MAPT P10636 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ ATM Q13315 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
SCHEMBL11211146 0.96 TSHR (0.57) ALDH1A1ALOX15THRBCYP2C9CYP2C19
SCHEMBL11148538 0.92 MME (0.58) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10985113 0.90 CTSL (0.51) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL8761906 0.88 CTSL (0.52) CTSLCTSBCTSSCTSKTRPM8
SCHEMBL9440145 0.88 ALDH1A1 (0.59) ALDH1A1ALOX15THRBCYP2C9CYP2C19
SCHEMBL9416814 0.88 ALDH1A1 (0.62) ALDH1A1ALOX15THRBCYP2C9CYP2C19
SCHEMBL11146459 0.87 MME (0.61) CTSLCTSBCTSSCTSKTACR1
SCHEMBL10986547 0.87 MME (0.52) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL8761927 0.86 ECE1 (0.55) CTSLCTSBCTSSCTSKCAPN1
SCHEMBL7757920 0.86 MME (0.59) CTSLCTSSCAPN1

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
WO-1985000809-A1 THE SYNTHESIS OF CYCLOPROPANE AMINO ACIDS AND PEPTIDES UNIVERSITY OF GEORGIA RESEARCH FOUNDATION, INC. (US) 1985-02-28 — — WO disclosed
US-4119493-A IN PRESENCE OF METALLOPROTEINASE ENZYME (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JP) 1978-10-10 — — US disclosed
US-4116768-A AMIDATION, METALLOPROTEINASE ENZYME (ZAIDANHOJIN) SAGAMI CHEMICAL RESEARCH CENTER (JP) 1978-09-26 — — US disclosed
US-3984417-A Method of producing active amino acid esters AJINOMOTO CO., INC. (JA) 1976-10-05 — — US disclosed
US-3933783-A Formation of peptide bonds in the presence of isonitriles AJINOMOTO CO., INC. (JA) 1976-01-20 — — US disclosed
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