SCHEMBL4773716

SCHEMBL4773716

CC(C)Cc1ccc([S+](c2ccccc2)c2ccccc2)c(CC(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.49
GABRB2 P47870 2/20 0.49
PTGS1 P23219 3/20 0.33
PTGS2 P35354 3/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 2/20 0.33
HTR2A P28223 2/20 0.33
AKR1C3 P42330 2/20 0.33
CXCR1 P25024 2/20 0.33
CXCR2 P25025 2/20 0.33
ALOX5 P09917 2/20 0.33
ALB P02768 1/20 0.33
ESR1 P03372 1/20 0.33
RARB P10826 1/20 0.33
ADRB3 P13945 1/20 0.33
NFKB1 P19838 1/20 0.33
NR1I3 Q14994 1/20 0.33
SLC22A6 Q4U2R8 1/20 0.33
CXCL8 P10145 1/20 0.33
HTR2C P28335 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
SCHEMBL4779302 0.80 GABRA1 (0.43) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL2709420 0.77 PTGS1 (0.44) PTGS1PTGS2LMNACYP2C9HTR2A
SCHEMBL3206212 0.75 CYP1A2 (0.46) LMNATSHR
SCHEMBL3181999 0.72 CNR1 (0.37) GABRA1GABRB2ALOX5SIGMAR1
Phenol SCHEMBL28301641 0.70 GABRA1 (0.61) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL3189054 0.70 GPR3 (0.39)
SCHEMBL5053439 0.67 GABRA1 (0.62) GABRA1GABRB2PTGS1PTGS2LMNA
SCHEMBL19261467 0.67 GABRA1 (0.47) GABRA1GABRB2ESR1DHODHTAAR1
SCHEMBL7637108 0.66 GABRA1 (0.60) GABRA1GABRB2LMNAAKR1C2
SCHEMBL318750 0.66 GABRA1 (1.00) GABRA1GABRB2PTGS2LMNACYP2C9

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