SCHEMBL3206101

SCHEMBL3206101

CC(C)(C)Oc1cc(OC(C)(C)C)cc([S+](c2ccccc2)c2ccccc2)c1.O=S(=O)([O-])c1ccc(F)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.36
POLB P06746 1/20 0.36
FFAR1 O14842 2/20 0.35
RORC P51449 1/20 0.35
FFAR4 Q5NUL3 1/20 0.34
MMP1 P03956 1/20 0.33
MMP2 P08253 1/20 0.33
MMP9 P14780 1/20 0.33
MMP13 P45452 1/20 0.33
PTGS2 P35354 2/20 0.33
MAPK1 P28482 2/20 0.33
ALDH1A1 P00352 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
PKM P14618 1/20 0.33
PIK3CD O00329 1/20 0.32
PIK3CA P42336 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
SCHEMBL8644644 0.91 FFAR1 (0.37) NPC1POLBFFAR1RORCFFAR4
SCHEMBL3197580 0.88 GAA (0.33) MAPK1ALDH1A1TSHR
SCHEMBL3190556 0.88 AR (0.35) RORCMAPK1KMT2A
SCHEMBL8651559 0.87 PKM (0.35) NPC1POLBFFAR1RORCFFAR4
SCHEMBL3182169 0.86 NPC1 (0.34) NPC1POLBFFAR1RORCFFAR4
SCHEMBL3192141 0.86 NPC1 (0.34) NPC1POLBFFAR1RORCFFAR4
SCHEMBL3206280 0.86 CA12 (0.31)
SCHEMBL3195450 0.85 PKM (0.32) PKM
SCHEMBL8646179 0.84 MMP1 (0.40) FFAR1RORCFFAR4MMP1MMP2
SCHEMBL3194018 0.82 FFAR1 (0.34) NPC1POLBFFAR1RORCFFAR4

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