SCHEMBL3201709

SCHEMBL3201709

Cc1ccc([S+](c2ccccc2)c2ccccc2)c(C)c1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.40
CDK1 P06493 1/20 0.40
CCNB1 P14635 1/20 0.40
CCNA2 P20248 1/20 0.40
CDK2 P24941 1/20 0.40
CDK7 P50613 1/20 0.40
CCNH P51946 1/20 0.40
CCNA1 P78396 1/20 0.40
FFAR4 Q5NUL3 1/20 0.40
CYP1A2 P05177 2/20 0.39
CYP3A4 P08684 2/20 0.39
CYP2C19 P33261 2/20 0.39
MAPT P10636 2/20 0.39
MAPK1 P28482 1/20 0.39
MCL1 Q07820 2/20 0.39
ALDH1A1 P00352 2/20 0.38
BCHE P06276 1/20 0.38
ACHE P22303 1/20 0.38
CYP1A1 P04798 1/20 0.36
CYP1B1 Q16678 1/20 0.36

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
SCHEMBL5408447 0.91 FFAR1 (0.39) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL5403808 0.90 FFAR4 (0.43) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL4861374 0.88 RAPGEF4 (0.40) FFAR4CYP1A2CYP3A4CYP2C19MAPT
SCHEMBL3203586 0.87 MCL1 (0.42) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL3134439 0.87 HSD11B1 (0.38) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL3201110 0.86 CYP1A2 (0.39) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL3206004 0.86 FFAR4 (0.41) FFAR4MAPK1LMNASMN1; SMN2MEN1
Trifluoromethanesulfonic Acid SCHEMBL4857072 0.85 GPR3 (0.47) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL547725 0.85 CYP1A2 (0.40) FFAR1CDK1CCNB1CCNA2CDK2
SCHEMBL3132913 0.84 ALDH1A1 (0.46) FFAR1CDK1CCNB1CCNA2CDK2

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-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 US disclosed
US-20100028800-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR CORPORATION (JP) 2010-02-04 US disclosed
EP-1953593-A1 RADIATION-SENSITIVE RESIN COMPOSITION JSR Corporation (JP) 2008-08-06 EP disclosed
US-7060414-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2006-06-13 US disclosed
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US disclosed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed