SCHEMBL7435196

SCHEMBL7435196

O=C(NC(Cc1ccc2ccccc2c1)C(O)C(=O)O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CTSB P07858 3/20 0.59
CTSS P25774 2/20 0.59
CTSL P07711 1/20 0.59
CASP1 P29466 2/20 0.53
F2 P00734 1/20 0.50
TRPM8 Q7Z2W7 1/20 0.49
TGM2 P21980 1/20 0.48
CTRB1 P17538 2/20 0.47
CTSK P43235 1/20 0.47
TACR1 P25103 1/20 0.47
ATM Q13315 1/20 0.46
ITGB3 P05106 4/20 0.44
ITGA2B P08514 4/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
FCER2 P06734 1/20 0.44

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
SCHEMBL7430937 0.87 TRPM8 (0.61) CTSBCTSSCTSLTRPM8CTRB1
SCHEMBL6350990 0.87 TRPM8 (0.61) CTSBCTSSCTSLTRPM8CTRB1
SCHEMBL7414480 0.87 TRPM8 (0.61) CTSBCTSSCTSLTRPM8CTRB1
SCHEMBL7418088 0.87 TRPM8 (0.61) CTSBCTSSCTSLTRPM8CTRB1
SCHEMBL7245549 0.87 TRPM8 (0.61) CTSBCTSSCTSLTRPM8CTRB1
SCHEMBL7438373 0.86 TRPM8 (0.49) CTSBCTSSCTSLTRPM8CTRB1
SCHEMBL6282998 0.85 CTSB (0.56) CTSBCTSSCTSLCASP1F2
SCHEMBL11407932 0.85 TRPM8 (0.56) CTSBCTSSCTSLF2TRPM8
SCHEMBL11414657 0.85 TRPM8 (0.56) CTSBCTSSCTSLF2TRPM8
SCHEMBL11422143 0.84 PPARA (0.56) CTSBCTSSCTSLTRPM8CTRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4453003-A ENZYME INHIBITORS, ANTIINFLAMMATORY AGENTS UMEZAWA HAMAO (JP) 1984-06-05 US disclosed
US-4391986-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediates therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1983-07-05 US disclosed
US-4281180-A Process for producing threo-3-amino-2-hydroxybutanoyl-aminoacetic acids, as well as novel intermediated therefor and process for producing them NIPPON KAYAKU KABUSHIKI KAISHA (JP) 1981-07-28 US disclosed