SCHEMBL7438617

SCHEMBL7438617

COc1cccc(CC(NC(=O)OCc2ccccc2)C(O)C(=O)O)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPM8 Q7Z2W7 1/20 0.53
▸ ATM Q13315 1/20 0.52
▸ CTSD P07339 3/20 0.50
▸ BACE1 P56817 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ BCHE P06276 1/20 0.47
▸ PSMB11 A5LHX3 1/20 0.46
▸ PSMA7 O14818 1/20 0.46
▸ PSMB1 P20618 1/20 0.46
▸ PSMA1 P25786 1/20 0.46
▸ PSMA2 P25787 1/20 0.46
▸ PSMA3 P25788 1/20 0.46
▸ PSMA4 P25789 1/20 0.46
▸ PSMB8 P28062 1/20 0.46
▸ PSMB9 P28065 1/20 0.46
▸ PSMA5 P28066 1/20 0.46
▸ PSMB4 P28070 1/20 0.46
▸ PSMB6 P28072 1/20 0.46
▸ PSMB5 P28074 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) TRPM8ATMCTSDCTRB1ALDH1A1
SCHEMBL7442432 0.86 CTSK (0.51) PSMB1
SCHEMBL6350990 0.85 TRPM8 (0.61) TRPM8ATMCTSDCTRB1ALDH1A1
SCHEMBL7418088 0.85 TRPM8 (0.61) TRPM8ATMCTSDCTRB1ALDH1A1
SCHEMBL7245549 0.85 TRPM8 (0.61) TRPM8ATMCTSDCTRB1ALDH1A1
SCHEMBL7414480 0.85 TRPM8 (0.61) TRPM8ATMCTSDCTRB1ALDH1A1
SCHEMBL7430937 0.85 TRPM8 (0.61) TRPM8ATMCTSDCTRB1ALDH1A1
SCHEMBL9826754 0.85 ALDH1A1 (0.56) ATMNPC1RAB9APOLBALDH1A1
SCHEMBL7427734 0.84 MTNR1A (0.49) CTSDBACE1BCHE
SCHEMBL6722552 0.84 KLK5 (0.53) ATMBCHE

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
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