SCHEMBL7763449

SCHEMBL7763449

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

nearest known ligand 0.58

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.58
CTRB1 P17538 2/20 0.53
ALDH1A1 P00352 2/20 0.52
ALOX15 P16050 1/20 0.52
TACR1 P25103 2/20 0.51
CTSL P07711 4/20 0.50
CTSB P07858 4/20 0.50
CTSS P25774 3/20 0.50
CTSK P43235 3/20 0.50
ATM Q13315 2/20 0.47
ACE2 Q9BYF1 1/20 0.47

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
SCHEMBL10054469 0.84 ATM (0.56) CTSLCTSBCTSSCTSKATM
SCHEMBL9545565 0.84 TRPM8 (0.57) TRPM8CTRB1ALDH1A1ALOX15TACR1
SCHEMBL14222479 0.82 TRPM8 (0.56) TRPM8CTRB1ALDH1A1ALOX15TACR1
SCHEMBL7430937 0.82 TRPM8 (0.61) TRPM8CTRB1ALDH1A1ALOX15TACR1
SCHEMBL7418088 0.82 TRPM8 (0.61) TRPM8CTRB1ALDH1A1ALOX15TACR1
SCHEMBL7245549 0.82 TRPM8 (0.61) TRPM8CTRB1ALDH1A1ALOX15TACR1
SCHEMBL7414480 0.82 TRPM8 (0.61) TRPM8CTRB1ALDH1A1ALOX15TACR1
SCHEMBL6350990 0.82 TRPM8 (0.61) TRPM8CTRB1ALDH1A1ALOX15TACR1
SCHEMBL7198750 0.82 ELANE (0.53) CTRB1ALDH1A1ALOX15CTSLCTSB
SCHEMBL7202814 0.82 ELANE (0.53) CTRB1ALDH1A1ALOX15CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239308-B1 REARRANGEMENT IN PRESENCE OF A BASE A KETO-HEMIMERCAPTAL CARBOXYLATE AJINOMOTO CO., INC. (JP) 2001-05-29 US disclosed
EP-0767168-B1 Alpha-acyloxy-beta-aminothiolcarboxylic esters and method and intermediates for their production AJINOMOTO KK (JP) 2001-05-23 EP disclosed
US-6169200-B1 ALPHA-ACYLOXY-THIOESTERS USEFUL ENZYME INHIBITORS, SUCH AS HIV PROTEASE AND RENIN AJINOMOTO CO., INC. (JP) 2001-01-02 US disclosed
US-5817859-A CHEMICAL INTERMEDIATE FOR ENZYME INHIBITORS, ANTICARCER AGENTS AJINOMOTO CO., INC. (JP) 1998-10-06 US disclosed
US-5705671-A REARRANGEMENTS TO FORM SULFOXY ESTER AMIDES FROM KETO HEMIMERCAPTAL CARBOXYLATE, REACTING N-PROTECTED ALPHA AMINO CARBOXYLATE WITH SULFOXIDE AND AMINO KETOSULFOXIDE AJINOMOTO CO., INC. (JP) 1998-01-06 US disclosed
EP-0767168-A2 Alpha-hydroxy-beta-aminothiolcarboxylic esters and method and intermediates for their production Ajinomoto Co., Inc. (JP) 1997-04-09 EP disclosed