SCHEMBL9804524

SCHEMBL9804524

CCCCCCCCCCCCCCCCCCc1c(Cl)cc(O)cc1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 11/20 0.43
CNR2 P34972 9/20 0.43
PTGS2 P35354 3/20 0.41
RBP1 P09455 1/20 0.38
CYP3A4 P08684 1/20 0.38
GPR84 Q9NQS5 3/20 0.35

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
SCHEMBL11708464 0.77 PTGS2 (0.55) PTGS2CYP3A4GPR84
SCHEMBL11701220 0.74 ESR1 (0.40) CNR1CNR2
SCHEMBL201160 0.73 PTGS2 (0.50) CNR1CNR2PTGS2CYP3A4
SCHEMBL2339830 0.73 PTGS2 (0.50) CNR1CNR2PTGS2CYP3A4
SCHEMBL202231 0.73 PTGS2 (0.50) CNR1CNR2PTGS2CYP3A4
SCHEMBL11705384 0.72 ESR1 (0.41) CNR1CNR2
SCHEMBL29106817 0.72 NUDT1 (0.44) CNR1CNR2CYP3A4
SCHEMBL28504720 0.72 NUDT1 (0.44) CNR1CNR2CYP3A4
SCHEMBL27421816 0.71 PTGS2 (0.45) CNR1CNR2PTGS2CYP3A4
SCHEMBL27480122 0.71 PTGS2 (0.45) CNR1CNR2PTGS2CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0186255-B1 PROCESS FOR PREPARING BENZYL SUBSTITUTED PHENOLS, DIBENZYLPHENOLIC COMPOUNDS, AND THE ANTIOXIDANT USE OF SUCH PHENOLS ETHYL CORPORATION (US) 1991-04-10 EP disclosed
EP-0186255-A2 Process for preparing benzyl substituted phenols, dibenzylphenolic compounds, and the antioxidant use of such phenols ETHYL CORPORATION (US) 1986-07-02 EP disclosed