SCHEMBL13930276

SCHEMBL13930276

CCCCCCCCCCCCCCCCS(=O)(=O)Oc1cc(=O)oc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ ALPL P05186 3/20 0.56
▸ ALPI P09923 3/20 0.56
▸ CYP1A2 P05177 1/20 0.48
▸ CYP3A4 P08684 1/20 0.48
▸ CYP2C9 P11712 1/20 0.48
▸ CYP2C19 P33261 1/20 0.48
▸ KCNA3 P22001 1/20 0.48
▸ CA12 O43570 1/20 0.46
▸ CA1 P00915 1/20 0.46
▸ CA9 Q16790 1/20 0.46
▸ ALOX15 P16050 2/20 0.43
▸ PTGS2 P35354 1/20 0.43

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
SCHEMBL13813783 0.95 CYP1A2 (0.50) ALPLALPICYP1A2CYP3A4CYP2C9
SCHEMBL14802497 0.80 KCNA3 (0.72) CYP1A2CYP3A4CYP2C9CYP2C19KCNA3
SCHEMBL24523105 0.80 KCNA3 (0.72) CYP1A2CYP3A4CYP2C9CYP2C19KCNA3
SCHEMBL24237029 0.80 KCNA3 (0.72) CYP1A2CYP3A4CYP2C9CYP2C19KCNA3
SCHEMBL3913428 0.79 ALPL (0.47) ALPLALPI
SCHEMBL14329533 0.79 KCNA3 (0.74) CYP1A2CYP3A4CYP2C9CYP2C19KCNA3
SCHEMBL22193184 0.79 CA12 (0.52) KCNA3CA12CA1CA9ALOX15
SCHEMBL13813784 0.77 CA12 (0.52) ALPLCYP1A2KCNA3CA12CA1
SCHEMBL13930284 0.76 ALPL (0.46) ALPLALPI
SCHEMBL21043909 0.75 ALDH1A1 (0.52) CYP1A2CYP3A4CYP2C9CYP2C19KCNA3

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
US-20090045552-A1 Positive resist composition for recording medium master, and method of producing recording medium master and method of producing stamper using the same IMAI GENJI 2009-02-19 — — US disclosed
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