SCHEMBL8418706

SCHEMBL8418706

CCCCCCC=CC=P(c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.42
SOAT1 P35610 1/20 0.42
FASN P49327 1/20 0.41
FAAH O00519 5/20 0.40
EPHX2 P34913 3/20 0.40
CES1 P23141 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
ALDH1A1 P00352 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL11711810 0.80 EPHX2 (0.41) SOAT2SOAT1FAAHEPHX2CES1
SCHEMBL8756382 0.80 EPHX2 (0.41) SOAT2SOAT1FAAHEPHX2CES1
SCHEMBL4934443 0.80 EPHX2 (0.41) SOAT2SOAT1FAAHEPHX2CES1
SCHEMBL8418702 0.79 EPHX2 (0.44) SOAT2SOAT1FAAHEPHX2CNR1
SCHEMBL8987951 0.78 MEN1 (0.41) SOAT2SOAT1FAAHEPHX2CES1
SCHEMBL11817004 0.74 SOAT2 (0.45) SOAT2SOAT1FASNFAAHEPHX2
SCHEMBL4609004 0.73 SOAT2 (0.46) SOAT2SOAT1FAAHEPHX2CES1
SCHEMBL4609010 0.73 SOAT2 (0.46) SOAT2SOAT1FAAHEPHX2CES1
Toluene SCHEMBL8986744 0.73 SOAT2 (0.42) SOAT2SOAT1FASNFAAHEPHX2
SCHEMBL489153 0.72 MAOB (0.50) SOAT2SOAT1FASNFAAHEPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0360246-B1 3-Oxiranyl benzoic acids and derivatives thereof SEARLE & CO (US) 1994-03-30 EP claimed
US-5990326-A AN ANTIINFLAMMATORY AGENT AS INHIBITORS OF LEUKOTRIENE HYDROLASE G.D. SEARLE & CO. (US) 1999-11-23 US disclosed
EP-0360246-B1 3-Oxiranyl benzoic acids and derivatives thereof SEARLE & CO (US) 1994-03-30 EP disclosed
EP-0360246-A1 3-Oxiranyl benzoic acids and derivatives thereof G.D. Searle & Co. (US) 1990-03-28 EP disclosed