SCHEMBL3189010

SCHEMBL3189010

CCc1cc(CC)c([S+](c2ccccc2)c2ccccc2)c(CC)c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.35
CYP2A6 P11509 1/20 0.35
LMNA P02545 2/20 0.35
ALDH1A1 P00352 2/20 0.35
NPC1 O15118 1/20 0.35
MAPT P10636 1/20 0.35
MAPK1 P28482 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
PTGS2 P35354 3/20 0.33
PTGS1 P23219 2/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
BCL2 P10415 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
GABRA1 P14867 2/20 0.30
GABRB2 P47870 2/20 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
SCHEMBL3193625 0.83 KMT2A (0.39) ALDH1A1MAPK1PTGS2
SCHEMBL3206085 0.82 GABRA1 (0.43) TP53MAPTL3MBTL1PTGS2GABRA1
SCHEMBL3188835 0.82 PTGS2 (0.33) PTGS2PTGS1
SCHEMBL3190403 0.81 KAT6A (0.33) LMNAPTGS2PTGS1
SCHEMBL3200703 0.79 PTGS1 (0.31) PTGS2PTGS1
SCHEMBL3183431 0.78 ALOX5 (0.32) TP53LMNAALDH1A1L3MBTL1SIGMAR1
SCHEMBL3206212 0.78 CYP1A2 (0.46) TP53CYP1A2CYP2A6LMNAALDH1A1
SCHEMBL3194684 0.78 HTR2A (0.38) ALDH1A1MAPTMAPK1SMN1; SMN2
SCHEMBL3202132 0.78 TP53 (0.48) TP53CYP1A2CYP2A6LMNAALDH1A1
SCHEMBL3194006 0.75 HTT (0.37) ALDH1A1NPC1MAPTMAPK1RAB9A

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 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050158657-A1 Radiation-sensitive resin composition SUZUKI AKI (JP) 2005-07-21 US claimed
US-6899989-B2 Radiation-sensitive resin composition JSR CORPORATION (JP) 2005-05-31 US claimed
US-20020090569-A1 Radiation-sensitive resin composition JSR CORPORATION (JP) 2002-07-11 US claimed
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