SCHEMBL13813787

SCHEMBL13813787

O=c1cc(OS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c2ccccc2o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CA12 O43570 2/20 0.43
▸ CA1 P00915 2/20 0.43
▸ CA9 Q16790 2/20 0.43
▸ KCNA3 P22001 1/20 0.42
▸ PTGS2 P35354 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ CYP1A1 P04798 1/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2E1 P05181 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2C8 P10632 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2A6 P11509 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP4B1 P13584 1/20 0.40
▸ CYP2B6 P20813 1/20 0.40

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
SCHEMBL12986005 0.79 KCNA3 (0.51) CA12CA1CA9KCNA3PTGS2
SCHEMBL3918843 0.78 MEN1 (0.49) CA12CA1CA9KCNA3PTGS2
SCHEMBL17861409 0.77 CA12 (0.52) CA12CA1CA9KCNA3PTGS2
SCHEMBL13813789 0.76 CA12 (0.47) CA12CA1CA9KCNA3PTGS2
SCHEMBL13813786 0.76 ALPL (0.55) KCNA3PTGS2ALDH1A1TP53CYP3A4
SCHEMBL13813784 0.74 CA12 (0.52) CA12CA1CA9KCNA3PTGS2
SCHEMBL13951917 0.73 CA12 (0.44) CA12CA1CA9KCNA3PTGS2
SCHEMBL28114360 0.73 MAPT (0.47) CA1CA9ALDH1A1TSHRMAOB
SCHEMBL22193184 0.73 CA12 (0.52) CA12CA1CA9KCNA3PTGS2
SCHEMBL15398161 0.72 CA12 (0.54) CA12CA1CA9KCNA3PTGS2

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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