SCHEMBL9502450

SCHEMBL9502450

CCCCCCNC(=O)CCSSCCC(=O)NCCCCCC

nearest known ligand 0.71

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CASP2 P42575 1/20 0.71
NAAA Q02083 1/20 0.67
FAAH O00519 5/20 0.58
EPHX2 P34913 3/20 0.57
EPHX1 P07099 5/20 0.55
DNM1 Q05193 2/20 0.54

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
SCHEMBL1146790 1.00 CASP2 (0.71) CASP2NAAAFAAHEPHX2EPHX1
SCHEMBL9518701 1.00 CASP2 (0.71) CASP2NAAAFAAHEPHX2EPHX1
SCHEMBL9518772 0.98 CASP2 (0.68) CASP2NAAAFAAHEPHX2EPHX1
SCHEMBL2616429 0.96 CASP2 (0.67) CASP2NAAAFAAHEPHX2EPHX1
SCHEMBL25922800 0.95 CASP2 (0.65) CASP2NAAAFAAHEPHX2EPHX1
SCHEMBL23394708 0.93 CASP2 (0.62) CASP2NAAAFAAHEPHX2EPHX1
SCHEMBL12192205 0.93 CASP2 (0.62) CASP2NAAAFAAHEPHX2EPHX1
SCHEMBL21779474 0.93 CASP2 (0.61) CASP2NAAAFAAHEPHX2
SCHEMBL12523062 0.92 CASP2 (0.59) CASP2NAAAFAAHEPHX2EPHX1
SCHEMBL28343752 0.92 CASP2 (0.61) CASP2NAAAFAAHEPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0410726-B1 S-SUBSTITUTED BETA-THIOACRYLAMIDES AND THEIR USE AS MICROBICIDES ROHM AND HAAS COMPANY (US) 1993-09-01 EP disclosed
EP-0375265-B1 PURIFICATION OF ISOTHIAZOLONES ROHM AND HAAS COMPANY (US) 1993-05-05 EP disclosed
US-5118681-A Bactericides ROHM AND HAAS COMPANY (US) 1992-06-02 US disclosed
US-5008395-A Forming hydrochloride salt, removing excess hydrogen chloride, cooling until crystals form, ripening, filtering ROHM AND HAAS COMPANY (US) 1991-04-16 US disclosed
EP-0410726-A1 S-substituted beta-thioacrylamides and their use as microbicides ROHM AND HAAS COMPANY (US) 1991-01-30 EP disclosed
EP-0375265-A2 Purification of isothiazolones ROHM AND HAAS COMPANY (US) 1990-06-27 EP disclosed