SCHEMBL4779461

SCHEMBL4779461

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

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.37
EEF2K O00418 2/20 0.36
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CYP3A4 P08684 3/20 0.35
CYP2C19 P33261 3/20 0.35
CYP1A2 P05177 2/20 0.35
CYP2D6 P10635 2/20 0.35
CYP2C9 P11712 2/20 0.35
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
CNR2 P34972 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP7 P09237 1/20 0.34

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
SCHEMBL4776190 0.88 ABCB11 (0.36) HSD11B1EEF2KCYP3A4CYP2C19CYP1A2
SCHEMBL4777596 0.86 FABP3 (0.35) LMNAMAPK1TSHRFABP3FABP4
SCHEMBL4778703 0.86 FABP3 (0.33) HSD11B1FABP3FABP4FABP5
SCHEMBL4779708 0.85 FABP3 (0.35) FABP3FABP4FABP5
SCHEMBL3192208 0.84 HSD11B1 (0.43) HSD11B1EEF2KCA1CA2CYP3A4
SCHEMBL4771092 0.81 FABP4 (0.37) GAAHTTFABP3FABP4FABP5
SCHEMBL4773393 0.80 FABP3 (0.36) FABP3FABP4FABP5
SCHEMBL503701 0.79 ALDH1A1 (0.45) HSD11B1EEF2KLMNAPOLBMAPT
SCHEMBL4778859 0.79 FABP3 (0.41) LMNAALDH1A1FABP3FABP4FABP5
SCHEMBL547725 0.78 CYP1A2 (0.40) HSD11B1CYP3A4CYP2C19CYP1A2CYP2D6

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