SCHEMBL8760209

SCHEMBL8760209

CCCCCCCC/C=C\CCCCCCCCNN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.54
GNAO1 P09471 1/20 0.54
GNAI1 P63096 1/20 0.54
PPARA Q07869 2/20 0.45
FAAH O00519 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
EPHX2 P34913 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
SCHEMBL8759047 0.98 GNAI3 (0.53) GNAI3GNAO1GNAI1PPARAFAAH
SCHEMBL6391709 0.89 GNAI3 (0.66) GNAI3GNAO1GNAI1PPARA
SCHEMBL9598276 0.89 GNAI3 (0.66) GNAI3GNAO1GNAI1PPARA
SCHEMBL10740911 0.87 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX2
Bromide SCHEMBL28400706 0.87 GNAI3 (0.63) GNAI3GNAO1GNAI1
SCHEMBL9441284 0.87 GNAI3 (0.63) GNAI3GNAO1GNAI1EPHX2
Hydrochloric Acid SCHEMBL28332000 0.87 GNAI3 (0.69) GNAI3GNAO1GNAI1
SCHEMBL17107331 0.87 GNAI3 (0.62) GNAI3GNAO1GNAI1
Bromide SCHEMBL28709122 0.85 GNAI3 (0.61) GNAI3GNAO1GNAI1EPHX2
SCHEMBL9214517 0.85 GNAI3 (0.78) GNAI3GNAO1GNAI1PPARAFAAH

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-0774017-A1 SCALE AND CORROSION INHIBITING COMPOSITION FOR PROTECTING SURFACES IN CONTACT WITH WATER AND METHOD FOR THE PREPARATION OF SAID COMPOSITION Concorde Chimie France (FR) 1997-05-21 EP disclosed
WO-1996004411-A1 SCALE AND CORROSION INHIBITING COMPOSITION FOR PROTECTING SURFACES IN CONTACT WITH WATER AND METHOD FOR THE PREPARATION OF SAID COMPOSITION CONCORDE CHIMIE FRANCE (FR) 1996-02-15 WO disclosed