SCHEMBL27664375

SCHEMBL27664375

CCCCCCCCCCCCCCCCS(=O)(=O)NC1CCCCC1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA7 P43166 1/20 0.45
CA14 Q9ULX7 1/20 0.45
EPHX1 P07099 8/20 0.45
EPHX2 P34913 2/20 0.45
SIGMAR1 Q99720 1/20 0.42

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
SCHEMBL4559183 1.00 CA12 (0.45) CA12CA1CA7CA14EPHX1
SCHEMBL21210710 0.98 EPHX1 (0.42) CA12CA1CA7CA14EPHX1
SCHEMBL22252444 0.96 CA1 (0.43) CA12CA1CA7CA14EPHX1
SCHEMBL3036070 0.93 CA1 (0.48) CA12CA1CA7CA14EPHX1
SCHEMBL24688471 0.91 PSEN1 (0.46) CA12CA1CA7CA14EPHX1
SCHEMBL22363303 0.91 FAAH (0.43) CA12CA7CA14
SCHEMBL1679043 0.91 FAAH (0.43) CA12CA7CA14
SCHEMBL21316483 0.91 FAAH (0.43) CA12CA7CA14
SCHEMBL1678500 0.89 PSEN1 (0.44) CA12CA7CA14
Hydrochloric Acid SCHEMBL1950726 0.87 PSEN1 (0.43) CA12CA7CA14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1860165-B Flame retardant compositions CIBA SC HOLDING AG 2010-04-14 CN disclosed
CN-1860165-A Flame retardant compositions CIBA SC HOLDING AG (CH) 2006-11-08 CN disclosed