SCHEMBL4779302

SCHEMBL4779302

CC(C)Cc1cc(CC(C)C)c([S+](c2ccccc2)c2ccccc2)c(CC(C)C)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
TAAR1 Q96RJ0 4/20 0.33
SLC6A2 P23975 2/20 0.33
SIGMAR1 Q99720 2/20 0.33
MAOA P21397 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
CYP2A6 P11509 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PTGS1 P23219 3/20 0.32
PTGS2 P35354 3/20 0.32
LMNA P02545 2/20 0.32
CYP2C9 P11712 2/20 0.32
AKR1C3 P42330 2/20 0.32
CXCR1 P25024 2/20 0.32
CXCR2 P25025 2/20 0.32
ALB P02768 1/20 0.32
ESR1 P03372 1/20 0.32

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
SCHEMBL4773716 0.80 GABRA1 (0.49) GABRA1GABRB2TAAR1SLC6A2SIGMAR1
SCHEMBL2709420 0.76 PTGS1 (0.44) TAAR1SLC6A2SIGMAR1MAOASLC6A4
SCHEMBL19261467 0.73 GABRA1 (0.47) GABRA1GABRB2TAAR1SLC6A2SIGMAR1
SCHEMBL3189010 0.73 TP53 (0.43) GABRA1GABRB2SIGMAR1CYP2A6PTGS1
SCHEMBL3183431 0.70 ALOX5 (0.32) SIGMAR1LMNAALOX5
SCHEMBL11685288 0.68 GABRA1 (0.52) GABRA1GABRB2ALOX5
SCHEMBL3194006 0.68 HTT (0.37) SIGMAR1PTGS2NPC1RAB9A
Isobutylbenzene SCHEMBL7493657 0.68 SIGMAR1 (0.64) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Isobutylbenzene SCHEMBL57393 0.68 SIGMAR1 (0.64) TAAR1SLC6A2SIGMAR1MAOASLC6A4
Isobutylbenzene SCHEMBL2571645 0.68 SIGMAR1 (0.64) TAAR1SLC6A2SIGMAR1MAOASLC6A4

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 5 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
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-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