SCHEMBL4776190

SCHEMBL4776190

CC(C)c1cc(C(C)C)c([S+](c2ccccc2)c2ccccc2)c(C(C)C)c1.O=S(=O)([O-])c1ccc(C(F)(F)F)cc1C(F)(F)F

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABCB11 O95342 1/20 0.36
CNR2 P34972 3/20 0.36
CNR1 P21554 1/20 0.35
HSD11B1 P28845 2/20 0.34
AVPR2 P30518 1/20 0.34
GPR27 Q9NS67 1/20 0.34
TRPV4 Q9HBA0 1/20 0.32
POLQ O75417 1/20 0.31
EEF2K O00418 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
MCL1 Q07820 1/20 0.31
TOP2A P11388 1/20 0.31
CYP3A4 P08684 2/20 0.31
CYP2C9 P11712 2/20 0.31
CYP2C19 P33261 2/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL4778703 0.88 FABP3 (0.33) HSD11B1AVPR2GPR27
SCHEMBL4779461 0.88 HSD11B1 (0.37) CNR2CNR1HSD11B1EEF2KNPSR1
SCHEMBL3202327 0.81 MCL1 (0.40) ABCB11HSD11B1AVPR2GPR27POLQ
SCHEMBL3199727 0.80 CYP1A2 (0.40) ABCB11AVPR2GPR27MCL1CYP3A4
SCHEMBL4779708 0.80 FABP3 (0.35)
SCHEMBL4771740 0.79 RECQL (0.34) CNR1GAAALDH1A1
SCHEMBL3189160 0.78 AVPR2 (0.37) ABCB11HSD11B1AVPR2GPR27POLQ
SCHEMBL3191633 0.77 ABCB11 (0.37) ABCB11CNR1AVPR2GPR27MCL1
SCHEMBL3197629 0.77 POLQ (0.35) ABCB11CNR2CNR1HSD11B1AVPR2
SCHEMBL4777596 0.77 FABP3 (0.35) LMNAMAPK1

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