SCHEMBL3192208

SCHEMBL3192208

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

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 3/20 0.43
EEF2K O00418 2/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
ACP3 P15309 1/20 0.38
CYP3A4 P08684 3/20 0.38
CYP2C19 P33261 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C9 P11712 3/20 0.38
CYP1A2 P05177 2/20 0.38
LMNA P02545 1/20 0.38
POLB P06746 1/20 0.38
GAA P10253 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
HTT P42858 1/20 0.38
TP53 P04637 1/20 0.38
TSHR P16473 1/20 0.38
PTPN5 P54829 1/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL3132680 0.89 ALDH1A1 (0.43) HSD11B1EEF2KLMNAPOLBMAPT
SCHEMBL3139768 0.89 ALDH1A1 (0.43) HSD11B1EEF2KLMNAPOLBMAPT
SCHEMBL5408783 0.88 NPSR1 (0.44) HSD11B1CA1CA2CYP3A4CYP2C19
SCHEMBL3182762 0.87 CNR2 (0.40) CA1CA2LMNAPOLBGAA
SCHEMBL503701 0.87 ALDH1A1 (0.45) HSD11B1EEF2KLMNAPOLBMAPT
SCHEMBL3132913 0.85 ALDH1A1 (0.46) HSD11B1CA1CA2CYP3A4CYP2D6
SCHEMBL3134381 0.85 CNR2 (0.41) HSD11B1CYP3A4MAPTTP53TSHR
SCHEMBL3139840 0.85 CNR2 (0.41) HSD11B1CYP3A4MAPTTP53TSHR
SCHEMBL3134860 0.85 HSD11B1 (0.42) HSD11B1EEF2KCA1CA2LMNA
SCHEMBL3136569 0.85 ALDH1A1 (0.46) HSD11B1CA1CA2CYP3A4CYP2D6

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