SCHEMBL10691793

SCHEMBL10691793

CCCC(=O)c1ccc2c(c1)O[N+](C)(C)C(=O)C2C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 5/20 0.48
HSD17B3 P37058 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.38
GAA P10253 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
LMNA P02545 1/20 0.36
PDE4D Q08499 5/20 0.36
PDE4A P27815 4/20 0.36
PDE4B Q07343 4/20 0.36
PDE4C Q08493 4/20 0.36
NPC1 O15118 4/20 0.36
RAB9A P51151 4/20 0.35
CTNNB1 P35222 3/20 0.35
WNT3A P56704 3/20 0.35
ALDH1A1 P00352 3/20 0.35
MAPT P10636 2/20 0.35
ATM Q13315 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NPSR1 Q6W5P4 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
SCHEMBL10693893 0.87 ALDH1A1 (0.36) HPGDSMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL10693560 0.86 ALDH1A1 (0.38) HPGDSMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL10692784 0.80 MEN1 (0.33) ATMMEN1KMT2A
SCHEMBL10692241 0.76 HPGD (0.48) HPGDHSD17B3SMN1; SMN2GAAL3MBTL1
SCHEMBL10694040 0.75 HPGD (0.47) HPGDHSD17B3SMN1; SMN2GAAL3MBTL1
SCHEMBL10687957 0.75 HPGD (0.52) HPGDHSD17B3SMN1; SMN2GAAL3MBTL1
SCHEMBL10694710 0.71 XDH (0.49) GAALMNANPC1RAB9AALDH1A1
SCHEMBL26958041 0.68 HSD17B3 (0.61) HPGDHSD17B3SMN1; SMN2L3MBTL1NPC1
SCHEMBL29153730 0.66 HSD17B3 (0.57) HPGDHSD17B3SMN1; SMN2L3MBTL1LMNA
SCHEMBL3924051 0.65 HPGD (0.82) HPGDCTNNB1WNT3AALDH1A1ATM

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