SCHEMBL4777596

SCHEMBL4777596

CC(C)c1cc(C(C)C)c([S+](c2ccccc2)c2ccccc2)c(C(C)C)c1.O=S(=O)([O-])c1ccc(F)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FABP3 P05413 2/20 0.35
FABP4 P15090 2/20 0.35
FABP5 Q01469 1/20 0.35
HTR2A P28223 2/20 0.33
HTR2C P28335 2/20 0.33
KCNH2 Q12809 2/20 0.33
PTGS2 P35354 2/20 0.33
KMT2A Q03164 2/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
HTR1A P08908 1/20 0.32
HTR7 P34969 1/20 0.32
LMNA P02545 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GNRHR P30968 1/20 0.32
GBA1 P04062 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32

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
SCHEMBL4771740 0.87 RECQL (0.34) FABP3FABP4FABP5HTR2AHTR2C
SCHEMBL4779461 0.86 HSD11B1 (0.37) FABP3FABP4FABP5TSHRMAPK1
SCHEMBL4771092 0.86 FABP4 (0.37) FABP3FABP4FABP5PSEN1PSEN2
SCHEMBL4773393 0.85 FABP3 (0.36) FABP3FABP4FABP5PKMPSEN1
SCHEMBL4778859 0.82 FABP3 (0.41) FABP3FABP4FABP5LMNA
SCHEMBL4779708 0.81 FABP3 (0.35) FABP3FABP4FABP5
SCHEMBL383991 0.78 FABP4 (0.47) FABP3FABP4FABP5PSEN1PSEN2
SCHEMBL4778703 0.78 FABP3 (0.33) FABP3FABP4FABP5
SCHEMBL4776190 0.77 ABCB11 (0.36) MAPK1LMNA
SCHEMBL2955279 0.77 PKM (0.46) PTGS2KMT2ATSHRMAPK1HSD17B10

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 4 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
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