SCHEMBL6972751

SCHEMBL6972751

CC1CC(CS(=O)(=O)CCCOc2cccnc2)(C(=O)O)CCO1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CYP4F2 P78329 2/20 0.37
▸ CYP4A11 Q02928 2/20 0.37
▸ CHRNB2 P17787 4/20 0.37
▸ CHRNA4 P43681 4/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ EPHX2 P34913 1/20 0.35
▸ FFAR1 O14842 1/20 0.34
▸ DRD2 P14416 1/20 0.33
▸ DRD3 P35462 1/20 0.33
▸ NAMPT P43490 1/20 0.33
▸ PTAFR P25105 1/20 0.33

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
SCHEMBL6968315 0.85 CYP4F2 (0.45) CYP4F2CYP4A11CHRNB2CHRNA4KMT2A
SCHEMBL6977761 0.84 HRH3 (0.39) FFAR1
SCHEMBL6735747 0.79 CHRNB2 (0.42) CYP4F2CYP4A11CHRNB2CHRNA4KMT2A
SCHEMBL6976704 0.74 MMP1 (0.40) CYP4F2CYP4A11CHRNB2CHRNA4KMT2A
SCHEMBL6827826 0.73 CYP4F2 (0.43) CYP4F2CYP4A11
SCHEMBL6727249 0.69 MMP13 (0.41) KMT2AEPHX2DRD2DRD3
SCHEMBL6735054 0.69 MMP13 (0.52) CYP4F2CYP4A11
SCHEMBL6727259 0.68 MMP1 (0.43) CYP4F2CYP4A11
SCHEMBL6829624 0.67 CHRNB2 (0.41) CHRNB2CHRNA4EPHX2
SCHEMBL6735645 0.66 MMP1 (0.47) CYP4F2CYP4A11KMT2AEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1053233-B1 HYDROXAMIC AND CARBOXYLIC ACID DERIVATIVES DARWIN DISCOVERY LTD (GB) 2003-08-20 — — EP claimed
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