SCHEMBL8524475

SCHEMBL8524475

CCOC(=O)COc1cccc2c1CCC(C)C2

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PTGIR P43119 15/20 0.47
KDM4E B2RXH2 1/20 0.45
USP2 O75604 1/20 0.44
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
ABCB1 P08183 1/20 0.42
ALDH1A1 P00352 1/20 0.42
GAA P10253 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
SCHEMBL8524473 0.88 PTGIR (0.45) PTGIRUSP2MTNR1AMTNR1BABCB1
SCHEMBL9017314 0.87 MTNR1A (0.50) PTGIRMTNR1AMTNR1B
SCHEMBL9005652 0.87 PTGIR (0.52) PTGIR
SCHEMBL9005706 0.87 PTGIR (0.47) PTGIRUSP2ALDH1A1
SCHEMBL20835079 0.86 CA1 (0.55) PTGIR
SCHEMBL8487292 0.85 PTGIR (0.53) PTGIR
SCHEMBL9005649 0.85 PTGIR (0.54) PTGIR
SCHEMBL9005727 0.83 PTGIR (0.50) PTGIR
SCHEMBL2876699 0.82 RXRA (0.54) KDM4EUSP2ABCB1ALDH1A1
SCHEMBL24650447 0.81 USP2 (0.45) KDM4EUSP2ABCB1ALDH1A1GAA

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-5863918-A HYPOTENSIVE AGENTS, ANTICOAGULANTS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1999-01-26 US disclosed