SCHEMBL9403377

SCHEMBL9403377

CC(=O)Oc1ccc2c(c1)CCCCC2O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 4/20 0.50
ESR1 P03372 3/20 0.50
OPRM1 P35372 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
ADORA3 P0DMS8 2/20 0.50
AR P10275 2/20 0.50
CHRM1 P11229 2/20 0.50
SLC6A3 Q01959 2/20 0.50
LMNA P02545 2/20 0.50
TBXA2R P21731 1/20 0.50
ADRA1A P35348 1/20 0.50
ATM Q13315 1/20 0.50
CYP3A4 P08684 2/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 1/20 0.46
OPRD1 P41143 1/20 0.44
AKR1C3 P42330 1/20 0.44
CHRM2 P08172 1/20 0.43
SLC6A2 P23975 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL9403350 0.89 OPRM1 (0.56) PGRESR1OPRM1SMN1; SMN2ADORA3
SCHEMBL24583699 0.86 MEN1 (0.44) PGRESR1OPRM1SMN1; SMN2ADORA3
SCHEMBL20533150 0.86 ACHE (0.54) PGRESR1OPRM1SMN1; SMN2ADORA3
SCHEMBL3069878 0.83 CHRNA7 (0.49) LMNAHSD17B10
SCHEMBL9261533 0.79 ALOX15 (0.56) PGRESR1SMN1; SMN2ADORA3AR
SCHEMBL345441 0.78 CHRNA7 (0.50)
SCHEMBL3896033 0.76 SMN1; SMN2 (0.55) PGRESR1SMN1; SMN2ADORA3AR
SCHEMBL9221653 0.76 PGR (0.43) PGRESR1LMNAMAPT
SCHEMBL16499649 0.75 CHRNB2 (0.45) SMN1; SMN2ATMMAPTKDM4E
SCHEMBL14242602 0.75 ACHE (0.60) ACHE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5338740-A Angiotensin II receptor antagonists PFIZER INC. (US) 1994-08-16 US disclosed