SCHEMBL7435563

SCHEMBL7435563

O=C(NC(Cc1ccc(-c2ccccc2)cc1)C(O)C(=O)O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.56
TRPM8 Q7Z2W7 1/20 0.55
CTRB1 P17538 2/20 0.53
TACR1 P25103 3/20 0.51
ITGB3 P05106 6/20 0.50
CTSL P07711 2/20 0.50
CTSB P07858 2/20 0.50
CTSK P43235 2/20 0.50
CTSS P25774 1/20 0.50
ITGAV P06756 1/20 0.50
ITGA2B P08514 5/20 0.49
ALDH1A1 P00352 1/20 0.49
ALOX15 P16050 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
SCHEMBL7245549 0.93 TRPM8 (0.61) TRPM8CTRB1TACR1ITGB3CTSL
SCHEMBL7414480 0.93 TRPM8 (0.61) TRPM8CTRB1TACR1ITGB3CTSL
SCHEMBL6350990 0.93 TRPM8 (0.61) TRPM8CTRB1TACR1ITGB3CTSL
SCHEMBL7430937 0.93 TRPM8 (0.61) TRPM8CTRB1TACR1ITGB3CTSL
SCHEMBL7418088 0.93 TRPM8 (0.61) TRPM8CTRB1TACR1ITGB3CTSL
SCHEMBL11407932 0.91 TRPM8 (0.56) TRPM8CTRB1TACR1ITGB3CTSL
SCHEMBL11414657 0.91 TRPM8 (0.56) TRPM8CTRB1TACR1ITGB3CTSL
SCHEMBL10074721 0.90 NAAA (0.50) PPARATRPM8CTRB1TACR1ITGB3
SCHEMBL11422143 0.90 PPARA (0.56) PPARATRPM8CTRB1TACR1ITGB3
SCHEMBL11419293 0.89 TRPM8 (0.57) TRPM8CTRB1TACR1ITGB3CTSL

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