SCHEMBL8417632

SCHEMBL8417632

C=CCc1cc(CCC(=O)OCC)ccc1C#CC1C(O)C2CCN1CC2

nearest known ligand 0.60

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FDFT1 P37268 1/20 0.60
HRH3 Q9Y5N1 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
CYP4Z1 Q86W10 1/20 0.34
CASR P41180 2/20 0.32
USP14 P54578 1/20 0.31
SYK P43405 2/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
P2RY12 Q9H244 1/20 0.31
AKR1C3 P42330 1/20 0.30
AKR1C2 P52895 1/20 0.30
ADRB2 P07550 1/20 0.30
CYP2D6 P10635 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL8419593 0.91 FDFT1 (0.49) FDFT1CYP4Z1
SCHEMBL8420062 0.89 FDFT1 (0.47) FDFT1
SCHEMBL8420013 0.89 FDFT1 (0.48) FDFT1HRH3CYP4F2CYP4A11CYP4Z1
SCHEMBL8419682 0.87 FDFT1 (0.46) FDFT1SYK
SCHEMBL8417676 0.86 FDFT1 (0.44) FDFT1HRH3
SCHEMBL8419759 0.86 FDFT1 (0.44) FDFT1
SCHEMBL8421697 0.85 FDFT1 (0.43) FDFT1PDE3BPDE3AP2RY12
SCHEMBL8421885 0.85 FDFT1 (0.43) FDFT1HRH3CASRADRB2CYP2D6
SCHEMBL8420486 0.84 FDFT1 (0.43) FDFT1
SCHEMBL8968794 0.84 FDFT1 (0.67) FDFT1HRH3CYP4F2CYP4A11CYP4Z1

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-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed