SCHEMBL10180188

SCHEMBL10180188

CC(C)Cc1ccc(S(=O)(=O)C(F)(F)CF)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
PTGS1 P23219 2/20 0.41
PTGS2 P35354 2/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
LMNA P02545 2/20 0.40
MEN1 O00255 1/20 0.40
HPGD P15428 1/20 0.40
KMT2A Q03164 1/20 0.40
POLB P06746 1/20 0.39
PTPRZ1 P23471 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA4 P22748 1/20 0.38
CA9 Q16790 1/20 0.38
CXCR1 P25024 3/20 0.38
CXCR2 P25025 3/20 0.38
ALB P02768 1/20 0.38
ESR1 P03372 1/20 0.38

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
SCHEMBL10180468 0.84 ALDH1A1 (0.53) ALDH1A1PTGS1PTGS2KDM4ESMN1; SMN2
SCHEMBL10180466 0.81 HTR2A (0.39) ALDH1A1KDM4ELMNACA2HTR2A
SCHEMBL10181398 0.81 CA2 (0.50) ALDH1A1PTGS1PTGS2KDM4ESMN1; SMN2
SCHEMBL12005154 0.79 LMNA (0.41) ALDH1A1KDM4ESMN1; SMN2LMNAPOLB
SCHEMBL10181579 0.78 CA2 (0.53) ALDH1A1SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL10180190 0.76 ALDH1A1 (0.51) ALDH1A1PTGS1PTGS2KDM4ESMN1; SMN2
SCHEMBL10179400 0.75 CA2 (0.56) ALDH1A1SMN1; SMN2LMNAHPGDCA12
SCHEMBL10180255 0.75 MEN1 (0.39) ALDH1A1KDM4EMEN1HPGDKMT2A
SCHEMBL25541953 0.75 ALDH1A1 (0.54) ALDH1A1PTGS1PTGS2KDM4ESMN1; SMN2
SCHEMBL22623288 0.74 ALDH1A1 (0.58) ALDH1A1PTGS1PTGS2KDM4ESMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130244122-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME ONUKI MASAMICHI (JP) 2013-09-19 US disclosed
US-20120219866-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS-ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2012-08-30 US disclosed
EP-2475041-A1 NON-AQUEOUS ELECTROLYTIC SOLUTION, AND NON-AQUEOUS ELECTROLYTE BATTERY COMPRISING SAME Mitsubishi Chemical Corporation (JP) 2012-07-11 EP disclosed