SCHEMBL9403350

SCHEMBL9403350

CC(=O)Oc1ccc2c(c1)CCC2O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
LMNA P02545 3/20 0.56
ESR1 P03372 1/20 0.56
PGR P06401 1/20 0.56
ADORA3 P0DMS8 1/20 0.56
AR P10275 1/20 0.56
CHRM1 P11229 1/20 0.56
TBXA2R P21731 1/20 0.56
ADRA1A P35348 1/20 0.56
SLC6A3 Q01959 1/20 0.56
ATM Q13315 1/20 0.56
MAPT P10636 3/20 0.51
CYP3A4 P08684 2/20 0.51
TP53 P04637 1/20 0.51
AKR1C3 P42330 1/20 0.49
ACHE P22303 4/20 0.45
OPRD1 P41143 2/20 0.44
CA2 P00918 1/20 0.43
CA5A P35218 1/20 0.43

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
SCHEMBL9403377 0.89 PGR (0.50) OPRM1SMN1; SMN2LMNAESR1PGR
SCHEMBL14242602 0.85 ACHE (0.60) ACHE
SCHEMBL607389 0.81 CYP19A1 (0.52) LMNAESR1
SCHEMBL2926301 0.81 KMT2A (0.57) SMN1; SMN2LMNAESR1ADORA3ATM
SCHEMBL20533150 0.78 ACHE (0.54) OPRM1SMN1; SMN2LMNAESR1PGR
SCHEMBL22448486 0.78 LMNA (0.59) OPRM1SMN1; SMN2LMNAESR1PGR
SCHEMBL30748091 0.77 CHRNB2 (0.45) OPRM1SMN1; SMN2LMNAESR1PGR
SCHEMBL26649920 0.77 CHRNB2 (0.45) OPRM1SMN1; SMN2LMNAESR1PGR
SCHEMBL32779 0.77 NPC1 (0.49) LMNAPGRMAPTPOLBALDH1A1
SCHEMBL14374374 0.76 ACHE (0.50) OPRM1ACHEOPRD1CA2CA5A

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