SCHEMBL13813783

SCHEMBL13813783

CCCCS(=O)(=O)Oc1cc(=O)oc2ccccc12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.50
▸ CYP3A4 P08684 1/20 0.50
▸ CYP2C9 P11712 1/20 0.50
▸ CYP2C19 P33261 1/20 0.50
▸ KCNA3 P22001 1/20 0.50
▸ ALPL P05186 3/20 0.49
▸ ALPI P09923 3/20 0.49
▸ CA12 O43570 1/20 0.48
▸ CA1 P00915 1/20 0.48
▸ CA9 Q16790 1/20 0.48
▸ ALOX15 P16050 2/20 0.45
▸ PTGS2 P35354 1/20 0.45
▸ CYP2A6 P11509 2/20 0.43
▸ ALDH1A1 P00352 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TSHR P16473 1/20 0.42
▸ KMT2A Q03164 1/20 0.42
▸ NQO1 P15559 1/20 0.42
▸ KDM4E B2RXH2 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
SCHEMBL13930276 0.95 ALPL (0.56) CYP1A2CYP3A4CYP2C9CYP2C19KCNA3
SCHEMBL3913428 0.84 ALPL (0.47) ALPLALPIALDH1A1TSHRKDM4E
SCHEMBL22193184 0.81 CA12 (0.52) KCNA3CA12CA1CA9ALOX15
SCHEMBL13813784 0.79 CA12 (0.52) CYP1A2KCNA3ALPLCA12CA1
SCHEMBL14329533 0.78 KCNA3 (0.74) CYP1A2CYP3A4CYP2C9CYP2C19KCNA3
SCHEMBL24523105 0.77 KCNA3 (0.72) CYP1A2CYP3A4CYP2C9CYP2C19KCNA3
SCHEMBL24237029 0.77 KCNA3 (0.72) CYP1A2CYP3A4CYP2C9CYP2C19KCNA3
SCHEMBL14802497 0.77 KCNA3 (0.72) CYP1A2CYP3A4CYP2C9CYP2C19KCNA3
SCHEMBL17861409 0.76 CA12 (0.52) KCNA3CA12CA1CA9ALOX15
SCHEMBL15842782 0.74 CYP2A6 (0.67) KCNA3CA12CA1CA9ALOX15

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
US-7544461-B2 Near infrared ray activation type positive resin composition KANSAI PAINT CO., LTD. (JP) 2009-06-09 — — US disclosed
US-7544461-B2 Near infrared ray activation type positive resin composition KANSAI PAINT CO., LTD. (JP) 2009-06-09 — — US disclosed
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
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
US-20070259279-A1 Near Infrared Ray Activation Type Positive Resin Composition KANSAI PAINT CO., LTD. (JP) 2007-11-08 — — US disclosed
US-20070259279-A1 Near Infrared Ray Activation Type Positive Resin Composition KANSAI PAINT CO., LTD. (JP) 2007-11-08 — — US disclosed
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