SCHEMBL3189062

SCHEMBL3189062

COc1cccc([S+](c2ccccc2)c2ccccc2)c1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.52
MAPT P10636 3/20 0.52
MAPK1 P28482 3/20 0.52
TP53 P04637 2/20 0.52
ALOX15 P16050 2/20 0.52
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 2/20 0.52
LMNA P02545 1/20 0.52
CYP3A4 P08684 1/20 0.52
HPGD P15428 1/20 0.52
ALOX12 P18054 1/20 0.52
CA1 P00915 3/20 0.44
CA2 P00918 3/20 0.44
TSHR P16473 1/20 0.44
TLR2 O60603 1/20 0.43
ERN1 O75460 1/20 0.43
TLR1 Q15399 1/20 0.43
TLR6 Q9Y2C9 1/20 0.43
CA12 O43570 3/20 0.41
CA7 P43166 2/20 0.41

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
SCHEMBL2090403 0.83 CA1 (0.50) KDM4EMAPTMAPK1TP53ALOX15
SCHEMBL31005134 0.83 CA1 (0.50) KDM4EMAPTMAPK1TP53ALOX15
SCHEMBL3203429 0.81 KDM4E (0.33) KDM4EMAPTMAPK1TP53ALOX15
SCHEMBL3201156 0.80 CA1 (0.43) KDM4EMAPTMAPK1TP53ALOX15
SCHEMBL3191907 0.80 NFE2L2 (0.45) TP53ALDH1A1LMNACA1CA2
SCHEMBL2092497 0.79 CA1 (0.50) KDM4EMAPTMAPK1TP53ALOX15
SCHEMBL3202934 0.76 ALDH1A1 (0.50) KDM4EMAPTHSD17B10ALDH1A1LMNA
SCHEMBL3206333 0.75 CA1 (0.43) KDM4EMAPTMAPK1TP53ALOX15
SCHEMBL3194640 0.75 CA1 (0.53) KDM4EMAPTMAPK1TP53ALOX15
SCHEMBL3189835 0.75 CA1 (0.50) KDM4EMAPTMAPK1TP53ALOX15

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 7 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
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US disclosed