SCHEMBL3200895

SCHEMBL3200895

CC(C)(C)Oc1cccc(OC(C)(C)C)c1[S+](c1ccccc1)c1ccccc1.O=S(=O)([O-])c1ccc(F)cc1F

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
CCR2 P41597 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HTR2A P28223 2/20 0.30
HTR2C P28335 2/20 0.30
KCNH2 Q12809 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 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
SCHEMBL3204656 0.92 GAA (0.32) GAACCR2
SCHEMBL3197743 0.87 NPC1 (0.36) ALDH1A1TSHRMAPK1
SCHEMBL3190420 0.85 GAA (0.35) GAAALDH1A1TSHRMAPK1
SCHEMBL3195311 0.85 HTR2A (0.33) GAACCR2ALDH1A1HTR2AHTR2C
SCHEMBL3203458 0.84 PKM (0.32) KCNH2
SCHEMBL3197580 0.84 GAA (0.33) GAAALDH1A1HTR2AHTR2CKCNH2
SCHEMBL3207038 0.84 HSD11B1 (0.34) GAAHTR2AHTR2C
SCHEMBL3189918 0.83 TSHR (0.37) GAACCR2ALDH1A1HTR2AHTR2C
SCHEMBL3199678 0.82 ACLY (0.36) GAASMN1; SMN2TSHR
SCHEMBL2537983 0.82 HTR2A (0.38) GAACCR2ALDH1A1HTR2AHTR2C

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