SCHEMBL7436892

SCHEMBL7436892

CC(C)Oc1ccc(CC(NC(=O)OCc2ccccc2)C(O)C(=O)O)cc1

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.53
ATM Q13315 1/20 0.49
ITGB3 P05106 7/20 0.48
ITGA2B P08514 7/20 0.48
CTRB1 P17538 2/20 0.48
CTSD P07339 2/20 0.47
CNR2 P34972 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
CTSL P07711 2/20 0.46
CTSS P25774 2/20 0.46
CTSK P43235 2/20 0.46
ELANE P08246 1/20 0.46
CTSB P07858 1/20 0.46
LTA4H P09960 1/20 0.46

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
SCHEMBL7433785 0.88 ATM (0.63) TRPM8ATMITGB3ITGA2BCTRB1
SCHEMBL6350990 0.88 TRPM8 (0.61) TRPM8ATMITGB3ITGA2BCTRB1
SCHEMBL7418088 0.88 TRPM8 (0.61) TRPM8ATMITGB3ITGA2BCTRB1
SCHEMBL7245549 0.88 TRPM8 (0.61) TRPM8ATMITGB3ITGA2BCTRB1
SCHEMBL7430937 0.88 TRPM8 (0.61) TRPM8ATMITGB3ITGA2BCTRB1
SCHEMBL7414480 0.88 TRPM8 (0.61) TRPM8ATMITGB3ITGA2BCTRB1
SCHEMBL7430795 0.87 MME (0.54) CTSLCTSSCTSK
SCHEMBL7440785 0.86 MEN1 (0.57) TRPM8ATMCTRB1CTSDCTSL
SCHEMBL11419293 0.86 TRPM8 (0.57) TRPM8ATMITGB3ITGA2BCTRB1
SCHEMBL11414657 0.86 TRPM8 (0.56) TRPM8ATMITGB3ITGA2BCTRB1

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