SCHEMBL9825142

SCHEMBL9825142

C=CCNC(=O)[C@@H](NC(=O)OCc1ccccc1)C(Cc1ccccc1)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSL P07711 3/20 0.50
▸ CTSS P25774 3/20 0.50
▸ CTSB P07858 2/20 0.48
▸ CTSK P43235 1/20 0.48
▸ CTRB1 P17538 2/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ TACR1 P25103 2/20 0.46
▸ CTSD P07339 1/20 0.46
▸ TRPM8 Q7Z2W7 1/20 0.45

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
SCHEMBL9826204 0.84 CTSS (0.71) CTSLCTSSCTSBCTSKMEN1
SCHEMBL9826149 0.83 CTSL (0.68) CTSLCTSSCTSBCTSKTACR1
SCHEMBL9825813 0.83 CTSL (0.68) CTSLCTSSCTSBCTSKTACR1
SCHEMBL7701531 0.83 CTRB1 (0.59) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL6850692 0.83 CTRB1 (0.59) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL9826794 0.82 CTSL (0.72) CTSLCTSSCTSBCTSKMEN1
SCHEMBL11148538 0.81 MME (0.58) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL7760301 0.81 HTT (0.62) CTSLCTSSCTSBCTSKCTRB1
SCHEMBL7757920 0.80 MME (0.59) CTSLCTSS
SCHEMBL9006385 0.80 HTT (0.57) CTSLCTSS

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
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
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