SCHEMBL6970266

SCHEMBL6970266

C#CCOC(=O)C(NC(=O)OCc1ccccc1)C(=O)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTRB1 P17538 2/20 0.52
CTSS P25774 8/20 0.48
CTSL P07711 7/20 0.48
TACR1 P25103 2/20 0.47
CTSK P43235 5/20 0.46
CTSB P07858 5/20 0.46
ATM Q13315 2/20 0.46
SYK P43405 1/20 0.44

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
SCHEMBL10612691 0.87 CTRB1 (0.61) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL6979650 0.84 CTRB1 (0.65) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL8561874 0.82 CTRB1 (0.56) CTRB1CTSSCTSLCTSKCTSB
SCHEMBL10873730 0.81 CTRB1 (0.58) CTRB1CTSSCTSLCTSKCTSB
SCHEMBL30103372 0.81 CTRB1 (0.56) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL10787497 0.81 CTRB1 (0.60) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL18334515 0.79 CTRB1 (0.58) CTRB1CTSSCTSLCTSKCTSB
SCHEMBL9192816 0.79 CTRB1 (0.58) CTRB1CTSSCTSLCTSKCTSB
SCHEMBL6977400 0.78 TACR1 (0.55) CTRB1CTSSCTSLTACR1CTSK
SCHEMBL29398507 0.78 TACR1 (0.55) CTRB1CTSSCTSLTACR1CTSK

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-1133491-B1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA SA (FR) 2003-02-19 EP disclosed
EP-1133491-A1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME Aventis Pharma S.A. (FR) 2001-09-19 EP disclosed
WO-2000031070-A1 NOVEL BENZOFURANE DERIVATIVES, PREPARATION METHOD, USE AS MEDICINES AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AVENTIS PHARMA S.A. (FR) 2000-06-02 WO disclosed