SCHEMBL3192141

SCHEMBL3192141

Cc1cc(OC(C)(C)C)cc(C)c1[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
FFAR1 O14842 2/20 0.33
PTGS2 P35354 2/20 0.33
RORC P51449 1/20 0.33
TSHR P16473 1/20 0.33
FFAR4 Q5NUL3 2/20 0.32
KMT2A Q03164 2/20 0.32
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
LMNA P02545 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
PTGS1 P23219 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C9 P11712 1/20 0.31
MAPK1 P28482 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
SCHEMBL3190420 0.89 GAA (0.35) TSHRALDH1A1MAPK1
SCHEMBL3182057 0.88 PTGDR2 (0.38) KMT2ALMNAALDH1A1
SCHEMBL3182169 0.88 NPC1 (0.34) NPC1POLBFFAR1PTGS2RORC
SCHEMBL3195145 0.87
SCHEMBL3206101 0.86 NPC1 (0.36) NPC1POLBFFAR1PTGS2RORC
SCHEMBL3190281 0.86 KMT2A (0.30) KMT2A
SCHEMBL3190654 0.83 FFAR4 (0.47) PTGS2TSHRFFAR4KMT2ALMNA
SCHEMBL3193339 0.83 KIF11 (0.35)
SCHEMBL8644644 0.83 FFAR1 (0.37) NPC1POLBFFAR1PTGS2RORC
SCHEMBL3203118 0.83 KDM4E (0.30) LMNA

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