SCHEMBL7701531

SCHEMBL7701531

O=C(NC(C(=O)O)C(Cc1ccccc1)C(=O)O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.59
TRPM8 Q7Z2W7 1/20 0.54
TACR1 P25103 2/20 0.53
CTSL P07711 3/20 0.52
CTSS P25774 3/20 0.52
CTSB P07858 2/20 0.52
CTSK P43235 1/20 0.52
ALDH1A1 P00352 1/20 0.51
ALOX15 P16050 1/20 0.51
ECE1 P42892 3/20 0.51
MME P08473 3/20 0.51
ATM Q13315 1/20 0.49

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
SCHEMBL6850692 1.00 CTRB1 (0.59) CTRB1TRPM8TACR1CTSLCTSS
SCHEMBL11029773 0.90 CTRB1 (0.56) CTRB1TRPM8TACR1CTSLCTSS
SCHEMBL29467644 0.88 CTRB1 (0.60) CTRB1TRPM8TACR1CTSLCTSS
SCHEMBL7886288 0.88 CTRB1 (0.60) CTRB1TRPM8TACR1CTSLCTSS
SCHEMBL20529450 0.88 CTRB1 (0.60) CTRB1TRPM8TACR1CTSLCTSS
SCHEMBL7759227 0.87 ECE1 (0.62) CTRB1CTSLCTSSCTSBCTSK
SCHEMBL11785122 0.87 CTSL (0.60) CTRB1TRPM8CTSLCTSSCTSB
SCHEMBL11148538 0.87 MME (0.58) CTRB1TACR1CTSLCTSSCTSB
SCHEMBL7757920 0.86 MME (0.59) CTSLCTSSECE1MME
SCHEMBL8909917 0.86 CTRB1 (0.51) CTRB1TRPM8CTSLCTSSCTSB

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
JP-4356499-A None JP disclosed
US-6342582-B1 PURIFICATION AND/OR BIOSYNTHESIS OF OLIGOPEPTIDES IN PRESENCE OF A PHENOL OR MIXTURE; DEBLOCKING, AMIDATION; VACCINES, DRUGS, FOOD, AGRICULTURE RHODIA CHIMIE (FR) 2002-01-29 US disclosed
US-5798443-A MEDIUM COMPRISING WATER IMMISCIBLE DILUENT AND HYDROXYAROMATIC COMPOUND RHONE-POULENC CHIMIE (FR) 1998-08-25 US disclosed
JP-H04356499-A PRODUCTION OF PHYSIOLOGICALLY ACTIVE PENTAPEPTIDE TANABE SEIYAKU CO LTD 1992-12-10 JP 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