SCHEMBL3190448

SCHEMBL3190448

CC(O)(CCCCC(C)(O)c1ccccc1)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.47
CYP2C19 P33261 2/20 0.46
LMNA P02545 1/20 0.46
CHRM2 P08172 3/20 0.44
CHRM4 P08173 3/20 0.44
CHRM5 P08912 3/20 0.44
CHRM1 P11229 3/20 0.44
CHRM3 P20309 3/20 0.44
SLC6A4 P31645 1/20 0.44
SLC6A3 Q01959 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TAAR1 Q96RJ0 1/20 0.43
ALOX15 P16050 1/20 0.43
ESR1 P03372 1/20 0.41
CYP3A4 P08684 1/20 0.41
ESR2 Q92731 1/20 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
SCHEMBL3200007 0.95 CYP2C19 (0.50) SIGMAR1CYP2C19LMNACHRM2CHRM4
SCHEMBL31729328 0.92 SIGMAR1 (0.42) SIGMAR1CYP2C19LMNACHRM2CHRM4
SCHEMBL10441612 0.92 SIGMAR1 (0.46) SIGMAR1CYP2C19LMNAESR2
SCHEMBL3190736 0.90 CYP2C19 (0.48) CYP2C19LMNASLC6A4SLC6A3SMN1; SMN2
SCHEMBL10441856 0.90 SIGMAR1 (0.45) SIGMAR1CYP2C19ESR2
SCHEMBL28803638 0.90 SIGMAR1 (0.45) SIGMAR1CYP2C19ESR2
SCHEMBL7157124 0.90 SIGMAR1 (0.45) SIGMAR1CYP2C19ESR2
SCHEMBL500650 0.90 SIGMAR1 (0.45) SIGMAR1CYP2C19ESR2
SCHEMBL1581793 0.90 SIGMAR1 (0.45) SIGMAR1CYP2C19ESR2
SCHEMBL27299341 0.90 SIGMAR1 (0.45) SIGMAR1CYP2C19ESR2

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 3 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