SCHEMBL3201793

SCHEMBL3201793

CC(C)(C)Oc1cc(OC(C)(C)C)c([S+](c2ccccc2)c2ccccc2)c(OC(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
AVPR2 P30518 2/20 0.33
GPR27 Q9NS67 2/20 0.33
MCL1 Q07820 2/20 0.32
POLQ O75417 1/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.32
ALPL P05186 1/20 0.32
FLT1 P17948 1/20 0.32
FLT4 P35916 1/20 0.32
KDR P35968 1/20 0.32
PPARG P37231 2/20 0.31
MEN1 O00255 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31
CYP3A4 P08684 1/20 0.31
CCR1 P32246 1/20 0.31
CCR2 P41597 1/20 0.31
CNR1 P21554 1/20 0.31
PPARD Q03181 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
SCHEMBL3191633 0.92 ABCB11 (0.37) ABCB11AVPR2GPR27MCL1PTGDR2
SCHEMBL3197587 0.90 POLQ (0.30) ABCB11POLQPTGDR2
SCHEMBL3202130 0.90 MCL1 (0.34) ABCB11AVPR2GPR27MCL1POLQ
SCHEMBL3200897 0.89 PTGDR2 (0.36) AVPR2GPR27MCL1PTGDR2MEN1
SCHEMBL3190751 0.88 AVPR2 (0.35) ABCB11AVPR2GPR27MCL1POLQ
SCHEMBL3194611 0.88 HSD11B1 (0.33) ABCB11AVPR2GPR27MCL1ALPL
SCHEMBL3195094 0.82
SCHEMBL3204656 0.81 GAA (0.32) CCR2HSD11B1
SCHEMBL3183476 0.81 SLC22A12 (0.31) ABCB11AVPR2GPR27PTGDR2CYP3A4
SCHEMBL3192999 0.80 PSEN1 (0.44) ABCB11PTGDR2

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