SCHEMBL10694040

SCHEMBL10694040

CCCC(=O)c1ccc2c(c1)ON(C)C(=O)C2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 6/20 0.47
HSD17B3 P37058 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.39
GAA P10253 1/20 0.39
NPC1 O15118 3/20 0.38
ALDH1A1 P00352 4/20 0.37
RAB9A P51151 3/20 0.37
MAPT P10636 2/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PDE4D Q08499 4/20 0.36
PDE4A P27815 3/20 0.36
PDE4B Q07343 3/20 0.36
PDE4C Q08493 3/20 0.36
CTNNB1 P35222 2/20 0.34
WNT3A P56704 2/20 0.34
ATM Q13315 1/20 0.34
MAOB P27338 1/20 0.34

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
SCHEMBL10693278 0.80 MEN1 (0.32) MEN1KMT2AATM
SCHEMBL7342611 0.76 KMT2A (0.39) HPGDSMN1; SMN2ALDH1A1MAPTMEN1
SCHEMBL10692241 0.75 HPGD (0.48) HPGDHSD17B3SMN1; SMN2GAANPC1
SCHEMBL10691793 0.75 HPGD (0.48) HPGDHSD17B3SMN1; SMN2GAANPC1
SCHEMBL9589608 0.73 MEN1 (0.32) SMN1; SMN2ALDH1A1RAB9AMAPTMEN1
SCHEMBL10693327 0.72 XDH (0.49) GAANPC1ALDH1A1RAB9AMAPT
SCHEMBL7341554 0.71 CYP1A2 (0.35) HPGDSMN1; SMN2GAANPC1ALDH1A1
SCHEMBL29153730 0.65 HSD17B3 (0.57) HPGDHSD17B3SMN1; SMN2NPC1ALDH1A1
SCHEMBL3924051 0.64 HPGD (0.82) HPGDALDH1A1MEN1KMT2ACTNNB1
SCHEMBL20827392 0.64 HPGD (1.00) HPGDSMN1; SMN2ALDH1A1MAPTL3MBTL1

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
US-4778792-A Use of 7-acyl benzoxazinones and their derivatives in treating atheromatous disorders LABORATORIES NEGMA (FR) 1988-10-18 US disclosed