SCHEMBL29706704

SCHEMBL29706704

CC(C)CCCCCCCCCCCCCCCNC(=O)C(N)=O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 2/20 0.43
RNPEP Q9H4A4 2/20 0.43
DNPEP Q9ULA0 1/20 0.43
GNAI3 P08754 1/20 0.42
GNAO1 P09471 1/20 0.42
GNAI1 P63096 1/20 0.42
EPHX1 P07099 3/20 0.41
DPP7 Q9UHL4 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPK1 P28482 1/20 0.40
HIF1A Q16665 1/20 0.40
PAOX Q6QHF9 2/20 0.38
KDM4C Q9H3R0 2/20 0.38
RAB9A P51151 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
RRM1 P23921 1/20 0.38
KDM4A O75164 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38

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
SCHEMBL19632133 0.92 ANPEP (0.46) ANPEPRNPEPDNPEPEPHX1DPP7
SCHEMBL28873225 0.87 KDM4C (0.39) ANPEPRNPEPDNPEPGNAI3GNAO1
SCHEMBL8432422 0.84 EPHX1 (0.43) ANPEPRNPEPDNPEPGNAI3GNAO1
SCHEMBL19468504 0.84 EPHX1 (0.43) ANPEPRNPEPDNPEPGNAI3GNAO1
SCHEMBL19468450 0.84 EPHX1 (0.43) ANPEPRNPEPDNPEPGNAI3GNAO1
SCHEMBL19458557 0.84 EPHX1 (0.43) ANPEPRNPEPDNPEPGNAI3GNAO1
SCHEMBL19468489 0.84 EPHX1 (0.43) ANPEPRNPEPDNPEPGNAI3GNAO1
SCHEMBL19458777 0.84 EPHX1 (0.43) ANPEPRNPEPDNPEPGNAI3GNAO1
SCHEMBL19468498 0.84 EPHX1 (0.43) ANPEPRNPEPDNPEPGNAI3GNAO1
SCHEMBL19468535 0.84 EPHX1 (0.43) ANPEPRNPEPDNPEPGNAI3GNAO1

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
CN-110642740-B Isostaviolamide derivative and preparation method thereof 郑州工程技术学院 2022-06-14 CN disclosed