SCHEMBL9403390

SCHEMBL9403390

CCCCCCCCCC(=O)NC1CC(C)(C)N([O])C(C)(C)C1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 1/20 0.52
GNAO1 P09471 1/20 0.52
GNAI1 P63096 1/20 0.52
TRPV1 Q8NER1 6/20 0.50
CNR1 P21554 5/20 0.50
CNR2 P34972 5/20 0.50
EPHX2 P34913 1/20 0.48
NAAA Q02083 3/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
KMT2A Q03164 1/20 0.43
MAOB P27338 1/20 0.43
HSP90AA1 P07900 1/20 0.43

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
SCHEMBL1272680 1.00 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL6258210 1.00 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL8907992 1.00 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL6258606 1.00 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL10495771 0.90 HMGCR (0.50) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL23793654 0.88 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL4408312 0.88 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL10719860 0.88 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL271981 0.88 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1
SCHEMBL8906309 0.88 GNAI3 (0.52) GNAI3GNAO1GNAI1TRPV1CNR1

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-5336811-A Reacting corresponding aryl methanol with a free radical nitroxide in the presence of a nitrogen oxide generating compound SHELL OIL COMPANY (US) 1994-08-09 US claimed
US-5336811-A Reacting corresponding aryl methanol with a free radical nitroxide in the presence of a nitrogen oxide generating compound SHELL OIL COMPANY (US) 1994-08-09 US disclosed