SCHEMBL3199767

SCHEMBL3199767

Cc1cc(OC2CCCCC2)ccc1[S+](c1ccccc1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDK2 Q15119 3/20 0.39
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
MAOB P27338 3/20 0.36
APP P05067 1/20 0.36
HIF1A Q16665 1/20 0.35
EGFR P00533 1/20 0.35
MTNR1A P48039 1/20 0.34
MAOA P21397 1/20 0.34
HRH1 P35367 1/20 0.34
KAT6A Q92794 1/20 0.34
GRM5 P41594 1/20 0.34
S1PR5 Q9H228 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
CHRNA7 P36544 1/20 0.33
CHRNA10 Q9GZZ6 1/20 0.33
CHRNA9 Q9UGM1 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33

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
SCHEMBL246014 0.79 HRH1 (0.46) PDK2EGFRHRH1CHRNB4CHRNA3
SCHEMBL3201024 0.76 GAA (0.47) MAOBMAOA
SCHEMBL3200887 0.75 KMO (0.39) PDK2HIF1AS1PR5
SCHEMBL11587463 0.75 MEN1 (0.47) PDK2PTGS1PTGS2MAOBHIF1A
SCHEMBL172836 0.73 PTGS1 (0.44) PDK2PTGS1PTGS2MAOBMAOA
SCHEMBL3189956 0.72 KIF11 (0.40)
SCHEMBL3195400 0.72 ALDH1A1 (0.40) PDK2PTGS1HIF1AKAT6A
SCHEMBL10203453 0.71 FABP4 (0.39) S1PR5
SCHEMBL14857736 0.71 CHRNA3 (0.42) PDK2PTGS1PTGS2MAOBHIF1A
SCHEMBL17130522 0.70 PARP10 (0.44) PDK2PTGS1PTGS2MAOBHRH3

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