SCHEMBL18239264

SCHEMBL18239264

C=C(C)C(=O)N1CCC(C(=O)NCCCCCNC(=O)C2CCN(C(=O)C(=C)C)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 3/20 0.49
GNAO1 P09471 3/20 0.49
GNAI1 P63096 3/20 0.49
NAAA Q02083 1/20 0.49
HSD17B10 Q99714 1/20 0.46
GAA P10253 2/20 0.44
TSHR P16473 1/20 0.44
CYP3A4 P08684 1/20 0.44
LMNA P02545 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
NAMPT P43490 1/20 0.42
KMT2A Q03164 1/20 0.41
KDM4C Q9H3R0 1/20 0.41
NPY5R Q15761 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL18239218 1.00 GNAI3 (0.49) GNAI3GNAO1GNAI1NAAAHSD17B10
SCHEMBL18239228 0.91 NAAA (0.47) GNAI3GNAO1GNAI1NAAAHSD17B10
SCHEMBL21134429 0.83 HSD17B10 (0.43) GNAI3GNAO1GNAI1NAAAHSD17B10
SCHEMBL18239211 0.79 KEAP1 (0.43) SMN1; SMN2NAMPTKMT2AKDM4EALDH1A1
SCHEMBL18239213 0.77 ALDH1A1 (0.45) GNAI3GNAO1GNAI1NAAANAMPT
SCHEMBL6357266 0.75 GAA (0.59) GNAI3GNAO1GNAI1NAAAHSD17B10
SCHEMBL18335491 0.74 LMNA (0.47) GNAI3GNAO1GNAI1NAAAHSD17B10
SCHEMBL20542868 0.74 NAAA (0.61) GNAI3GNAO1GNAI1NAAAGAA
SCHEMBL24865972 0.73 GNAI3 (0.50) GNAI3GNAO1GNAI1NAAAHSD17B10
SCHEMBL10797412 0.73 LMNA (0.49) HSD17B10GAATSHRLMNASMN1; SMN2

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
WO-2016183491-A1 METHACRYLAMIDE COMPOUNDS OREGON HEALTH & SCIENCE UNIVERSITY (US) 2016-11-17 WO disclosed