SCHEMBL7945973

SCHEMBL7945973

CCOC(=O)C(N)Cc1ccc(OC)nc1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ACACB O00763 6/20 0.44
CPB2 Q96IY4 1/20 0.44
NNMT P40261 1/20 0.44
TPH1 P17752 2/20 0.42
KLKB1 P03952 1/20 0.41
MKNK1 Q9BUB5 1/20 0.40
MKNK2 Q9HBH9 1/20 0.40
FFAR1 O14842 2/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
PABPC1 P11940 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
ALDH1A1 P00352 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
SCHEMBL3861143 1.00 ACACB (0.44) ACACBCPB2NNMTTPH1KLKB1
SCHEMBL3861562 0.90 MAPT (0.48) ACACBCPB2TPH1FFAR1MAPT
SCHEMBL7081683 0.89 ACACB (0.49) ACACBNNMTKLKB1MKNK1MKNK2
SCHEMBL3604889 0.89 ACACB (0.49) ACACBNNMTKLKB1MKNK1MKNK2
SCHEMBL6263178 0.84 ACACB (0.45) ACACBCPB2NNMTKLKB1MKNK1
SCHEMBL4601596 0.84 HSD17B10 (0.53) ACACBNNMTTPH1KLKB1FFAR1
SCHEMBL4601600 0.84 HSD17B10 (0.53) ACACBNNMTTPH1KLKB1FFAR1
SCHEMBL7018374 0.84 ACACB (0.43) ACACBNNMTKLKB1MKNK1MKNK2
SCHEMBL10741906 0.81 ACACB (0.40) ACACBCPB2NNMTKLKB1MKNK1
SCHEMBL7960935 0.80 SLC7A5 (0.48) CPB2TPH1PKMALDH1A1

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-6268378-B1 TREATING AND PREVENTING OSTEOPOROSIS, AND INHIBITING VASCULAR RESTENOSIS, DIABETIC RETINOPATHY, MACULAR DEGENERATION, ANGIOGENESIS, ATHEROSCLEROSIS, INFLAMMATION, VIRAL DISEASE, AND TUMOR GROWTH. MERCK & CO., INC. 2001-07-31 US disclosed