SCHEMBL4771740

SCHEMBL4771740

CC(C)c1cc(C(C)C)c([S+](c2ccccc2)c2ccccc2)c(C(C)C)c1.O=S(=O)([O-])c1ccc(F)cc1F

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.34
FABP3 P05413 1/20 0.31
FABP4 P15090 1/20 0.31
FABP5 Q01469 1/20 0.31
PSEN1 P49768 2/20 0.31
PSEN2 P49810 2/20 0.31
APH1B Q8WW43 2/20 0.31
NCSTN Q92542 2/20 0.31
APH1A Q96BI3 2/20 0.31
PSENEN Q9NZ42 2/20 0.31
GAA P10253 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CNR1 P21554 1/20 0.30
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL4777596 0.87 FABP3 (0.35) FABP3FABP4FABP5PSEN1PSEN2
SCHEMBL3181701 0.86 KAT6A (0.34) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL4773393 0.82 FABP3 (0.36) FABP3FABP4FABP5PSEN1PSEN2
SCHEMBL2537983 0.81 HTR2A (0.38) GAAALDH1A1HTR2AHTR2CKCNH2
SCHEMBL4771092 0.81 FABP4 (0.37) FABP3FABP4FABP5PSEN1PSEN2
SCHEMBL3189918 0.80 TSHR (0.37) FABP4FABP5GAAALDH1A1HTR2A
SCHEMBL4776190 0.79 ABCB11 (0.36) GAAALDH1A1CNR1
SCHEMBL548239 0.79 MAPK1 (0.36) RECQLFABP4FABP5GAAALDH1A1
SCHEMBL4778859 0.77 FABP3 (0.41) FABP3FABP4FABP5ALDH1A1
SCHEMBL2954163 0.77 ALDH1A1 (0.36) GAAALDH1A1HTR2AHTR2CKCNH2

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-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US claimed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US claimed
US-8206888-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2012-06-26 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-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US disclosed