SCHEMBL9826152

SCHEMBL9826152

COc1ccccc1C[C@H](NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.61
MAPT P10636 1/20 0.61
ALDH1A1 P00352 2/20 0.60
GAA P10253 1/20 0.60
ITGA4 P13612 1/20 0.56
ITGB7 P26010 1/20 0.56
ALOX15 P16050 1/20 0.54
ITGB3 P05106 5/20 0.53
ITGA2B P08514 5/20 0.53
MME P08473 1/20 0.53
ACE P12821 1/20 0.53
CPA1 P15085 1/20 0.53
ACE2 Q9BYF1 1/20 0.53
CTSL P07711 2/20 0.52
CTSK P43235 2/20 0.52
CTSB P07858 1/20 0.52
CTSS P25774 1/20 0.52
KYNU Q16719 1/20 0.50
ATM Q13315 1/20 0.50
TACR1 P25103 1/20 0.50

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
SCHEMBL27215388 0.93 LMNA (0.60) LMNAMAPTALDH1A1GAAITGA4
SCHEMBL27213561 0.93 LMNA (0.60) LMNAMAPTALDH1A1GAAITGA4
SCHEMBL30070644 0.86 LMNA (0.60) LMNAMAPTALDH1A1ALOX15CTSL
SCHEMBL7378641 0.85 ALDH1A1 (0.54) LMNAMAPTALDH1A1GAAITGA4
SCHEMBL6958952 0.85 CTSK (0.54) ALDH1A1ALOX15ITGB3ITGA2BCTSL
SCHEMBL7438594 0.84 TRPM8 (0.51) LMNAMAPTALDH1A1GAAITGA4
SCHEMBL5401540 0.84 ITGA4 (0.61) ALDH1A1GAAITGA4ITGB7ALOX15
SCHEMBL9827227 0.84 MAPT (0.62) LMNAMAPTGAACTSLCTSK
SCHEMBL8889717 0.83 TYR (0.55) ALDH1A1ALOX15ITGB3ITGA2BMME
SCHEMBL9825831 0.83 TYR (0.55) ALDH1A1ALOX15ITGB3ITGA2BMME

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1230175-A Cytostatic hydroximic acid derivatives BRITISH BIOTECH PHARM (GB) 1999-09-29 CN disclosed
EP-0237082-B1 3,5-DISUBSTITUTED 4,5-DIHYDROISOXAZOLES AS TRANSGLUTAMINASE INHIBITORS SYNTEX (U.S.A.) INC. (US) 1991-05-29 EP disclosed
US-4929630-A SKIN DISORDERS, ACNE, 4,5-DIHYDROISOOXAZOLE PEPTIDES SYNTEX (U.S.A.) INC. (US) 1990-05-29 US disclosed
US-4912120-A Containing amine and amide substitution SYNTEX (U.S.A.) INC. (US) 1990-03-27 US disclosed
EP-0237082-A2 3,5-disubstituted 4,5-dihydroisoxazoles as transglutaminase inhibitors SYNTEX (U.S.A.) INC. (US) 1987-09-16 EP disclosed