SCHEMBL9825424

SCHEMBL9825424

C=CCNC(=O)[C@H](Cc1ccc(O)c(OC)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSL P07711 4/20 0.54
CTSB P07858 3/20 0.54
CTSS P25774 2/20 0.54
CTSK P43235 1/20 0.53
MAPT P10636 2/20 0.50
LMNA P02545 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
GAA P10253 1/20 0.47
HTT P42858 1/20 0.47
TACR1 P25103 2/20 0.47
F2 P00734 1/20 0.47
HDAC8 Q9BY41 1/20 0.47

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
SCHEMBL9825358 0.89 CTSL (0.56) CTSLCTSBCTSSCTSKMAPT
SCHEMBL9826157 0.85 CTSL (0.56) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9825481 0.85 HDAC8 (0.62) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9825066 0.85 CTSL (0.57) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9825292 0.85 CTSL (0.57) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9825306 0.85 ITGA4 (0.57) CTSLCTSBCTSSCTSKMEN1
SCHEMBL9826192 0.85 CTSL (0.63) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9825813 0.85 CTSL (0.68) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9826149 0.85 CTSL (0.68) CTSLCTSBCTSSCTSKTACR1
SCHEMBL9827227 0.84 MAPT (0.62) CTSLCTSBCTSSCTSKMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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