SCHEMBL9500860

SCHEMBL9500860

CCCCCC=CNCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 7/20 0.55
FAAH O00519 5/20 0.55
CNR1 P21554 2/20 0.52
CNR2 P34972 2/20 0.52
ADH1B P00325 1/20 0.44
ADH1C P00326 1/20 0.44
ADH1A P07327 1/20 0.44
ADH7 P40394 1/20 0.44
SOAT2 O75908 1/20 0.43
SOAT1 P35610 1/20 0.43
SIGMAR1 Q99720 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL28944432 0.98 EPHX2 (0.57) EPHX2FAAHCNR1CNR2ADH1B
SCHEMBL855606 0.95 EPHX2 (0.49) EPHX2FAAHCNR1CNR2ADH1B
SCHEMBL6014514 0.84 SIGMAR1 (0.50) EPHX2ADH1BADH1CADH1AADH7
SCHEMBL6014516 0.84 SIGMAR1 (0.50) EPHX2ADH1BADH1CADH1AADH7
SCHEMBL6014624 0.83 SIGMAR1 (0.51) EPHX2FAAHADH1BADH1CADH1A
SCHEMBL6014621 0.83 SIGMAR1 (0.51) EPHX2FAAHADH1BADH1CADH1A
SCHEMBL10809223 0.81 EPHX2 (0.52) EPHX2FAAHCNR1CNR2ADH1B
SCHEMBL1101278 0.80 ADH1B (0.52) EPHX2FAAHCNR1CNR2ADH1B
SCHEMBL887919 0.80 ADH1B (0.52) EPHX2FAAHCNR1CNR2ADH1B
SCHEMBL27261754 0.80 ADH1B (0.52) EPHX2FAAHCNR1CNR2ADH1B

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-0371378-B1 TEMPORARY COATING OF SPRAYING BOOTHS Henkel Kommanditgesellschaft auf Aktien (DE) 1993-05-12 EP disclosed