SCHEMBL8778554

SCHEMBL8778554

[CH2]CCCOC(C)CCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.41
DNM1 Q05193 2/20 0.38
OPRM1 P35372 1/20 0.37
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
EPHX2 P34913 1/20 0.35
SPHK1 Q9NYA1 1/20 0.35
LMNA P02545 1/20 0.34
ADH1B P00325 1/20 0.33
ADH1C P00326 1/20 0.33
ADH1A P07327 1/20 0.33
ADH4 P08319 1/20 0.33
ADH7 P40394 1/20 0.33
ALDH1A1 P00352 1/20 0.33
SMPD1 P17405 1/20 0.32

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
SCHEMBL6939116 1.00 FAAH (0.41) FAAHDNM1OPRM1CNR1CNR2
SCHEMBL6938620 0.94 DNM1 (0.41) FAAHDNM1OPRM1CNR1CNR2
SCHEMBL9934670 0.92 EPHX2 (0.37) FAAHDNM1OPRM1EPHX2
SCHEMBL14693795 0.90 FAAH (0.42) FAAHDNM1OPRM1CNR1CNR2
SCHEMBL9408548 0.90 DNM1 (0.39) FAAHDNM1OPRM1CNR1CNR2
Ethylene SCHEMBL10617839 0.88 DNM1 (0.45) FAAHDNM1OPRM1CNR1CNR2
SCHEMBL5101333 0.88 EPHX2 (0.34) FAAHDNM1OPRM1EPHX2
SCHEMBL3039218 0.87 DNM1 (0.48) FAAHDNM1OPRM1CNR1CNR2
SCHEMBL4022359 0.87 DNM1 (0.48) FAAHDNM1OPRM1CNR1CNR2
SCHEMBL7082641 0.87 DNM1 (0.48) FAAHDNM1OPRM1CNR1CNR2

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-0574355-B1 Phosphinyloxy propanaminium inner salt derivatives CIBA GEIGY AG (CH) 1997-08-13 EP claimed
EP-0574355-A1 Phosphinyloxy propanaminium inner salt derivatives SANDOZ LTD. (CH) 1993-12-15 EP claimed