SCHEMBL13902230

SCHEMBL13902230

CCCCCCCCCC/C=C/c1c(OC)ccc(C=O)c1OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 1/20 0.41
▸ SLC37A4 O43826 1/20 0.39
▸ TRPV1 Q8NER1 3/20 0.39
▸ LTA4H P09960 1/20 0.39
▸ CYP1A2 P05177 2/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ MTOR P42345 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ CYP1A1 P04798 1/20 0.38
▸ CYP1B1 Q16678 1/20 0.38
▸ HTR1A P08908 2/20 0.38
▸ CNR1 P21554 1/20 0.38
▸ CNR2 P34972 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
SCHEMBL13902236 0.79 CCR5 (0.39) EPHX2SLC37A4TRPV1CNR1CNR2
SCHEMBL3900081 0.78 GALK1 (0.40) EPHX2SLC37A4TRPV1CNR1CNR2
SCHEMBL3900078 0.78 GALK1 (0.40) EPHX2SLC37A4TRPV1CNR1CNR2
SCHEMBL13562270 0.77 TOP2A (0.44) EPHX2TRPV1LTA4HHTR1A
SCHEMBL11045083 0.72 NFE2L2 (0.51) CYP1A2CYP2D6MAPTCYP1A1CYP1B1
SCHEMBL3902678 0.71 OPRM1 (0.52) EPHX2TRPV1CYP1A2TP53CYP3A4
SCHEMBL29191117 0.71 LTA4H (0.37) EPHX2SLC37A4TRPV1LTA4HCYP1A2
SCHEMBL15690211 0.70 HTR1A (0.56) CYP1A2HPGDCYP1A1CYP1B1HTR1A
SCHEMBL15690210 0.70 HTR1A (0.56) CYP1A2HPGDCYP1A1CYP1B1HTR1A
SCHEMBL28075459 0.70 L3MBTL1 (0.46) MAPTHPGDKMT2A

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
EP-1681280-B1 NOVEL PHENOL DERIVATIVES AND ANTITRYPANOSOMA PREVENTIVE/THERAPEUTIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT ARIGEN PHARMACEUTICALS INC (JP) 2009-03-25 — — EP disclosed
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