SCHEMBL8843705

SCHEMBL8843705

CCOC(=C=O)CCCCCCn1c(-c2ccccc2)nc(-c2ccc(OC)cc2)c1-c1ccc(OC)cc1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 9/20 0.54
BCHE P06276 3/20 0.51
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 2/20 0.42
NPSR1 Q6W5P4 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
GAA P10253 1/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL8112194 1.00 FAAH (0.54) FAAHBCHEMEN1KMT2AKDM4E
SCHEMBL8843828 0.93 FAAH (0.61) FAAHBCHEMEN1KMT2A
SCHEMBL8103913 0.93 FAAH (0.61) FAAHBCHEMEN1KMT2A
SCHEMBL8843728 0.93 FAAH (0.61) FAAHBCHEMEN1KMT2A
SCHEMBL8104170 0.88 FAAH (0.70) FAAHBCHEMEN1KMT2AGAA
SCHEMBL8104149 0.88 FAAH (0.70) FAAHBCHEMEN1KMT2AGAA
SCHEMBL8112175 0.86 FAAH (0.55) FAAHBCHE
SCHEMBL8112509 0.86 FAAH (0.55) FAAHBCHE
SCHEMBL27241995 0.83 BCHE (0.58) FAAHBCHEKDM4ENPSR1ALDH1A1
SCHEMBL27207545 0.83 BCHE (0.58) FAAHBCHEKDM4ENPSR1ALDH1A1

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
US-5663053-A COENZYME A TRANSACYLASE FOR SCREENING SMITHKLINE BEECHAM CORPORATION (US) 1997-09-02 US disclosed
US-5648373-A CoA-IT and PAF inhibitors SMITHKLINE BEECHAM CORPORATION (US) 1997-07-15 US disclosed