SCHEMBL10180468

SCHEMBL10180468

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

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.53
PTPRZ1 P23471 1/20 0.53
KIF11 P52732 1/20 0.44
LMNA P02545 4/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
KDM4E B2RXH2 3/20 0.43
MEN1 O00255 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
MAPK1 P28482 1/20 0.42
HTT P42858 1/20 0.42
POLB P06746 1/20 0.41
PTGS1 P23219 3/20 0.41
PTGS2 P35354 3/20 0.41
CXCR1 P25024 3/20 0.41
CXCR2 P25025 3/20 0.41
CYP2C9 P11712 2/20 0.41
AKR1C3 P42330 2/20 0.41
ALB P02768 1/20 0.41
ESR1 P03372 1/20 0.41

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
SCHEMBL10180188 0.84 ALDH1A1 (0.49) ALDH1A1PTPRZ1LMNASMN1; SMN2KDM4E
SCHEMBL934687 0.80 KIF11 (0.46) ALDH1A1PTPRZ1KIF11LMNASMN1; SMN2
SCHEMBL10180190 0.80 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL10182144 0.80 HTR2A (0.41) ALDH1A1PTPRZ1LMNASMN1; SMN2HTT
SCHEMBL10181461 0.79 PTPRZ1 (0.58) ALDH1A1PTPRZ1KIF11LMNASMN1; SMN2
SCHEMBL22623288 0.79 ALDH1A1 (0.58) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL21064584 0.78 ALDH1A1 (0.61) ALDH1A1LMNASMN1; SMN2KDM4EMEN1
SCHEMBL6001716 0.78 PTPRZ1 (0.61) ALDH1A1PTPRZ1KIF11LMNASMN1; SMN2
SCHEMBL7050691 0.76 PTPRZ1 (0.59) ALDH1A1PTPRZ1KIF11LMNASMN1; SMN2
SCHEMBL2662553 0.76 ALDH1A1 (0.59) ALDH1A1LMNASMN1; SMN2KDM4EMEN1

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