SCHEMBL8145015

SCHEMBL8145015

COC1=NC(C/C=C/c2ccc(OC)cc2C(=O)O)CCCC1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 3/20 0.38
POLB P06746 2/20 0.37
KDM4E B2RXH2 2/20 0.37
LMNA P02545 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
KLF5 Q13887 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
ADORA1 P30542 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
HCAR2 Q8TDS4 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
AKR1C3 P42330 4/20 0.35
AKR1C2 P52895 4/20 0.35
NPC1 O15118 1/20 0.34
MAPT P10636 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
SCHEMBL8145018 1.00 KDM4C (0.38) KDM4CPOLBKDM4ELMNAALDH1A1
SCHEMBL6971583 0.91 MEN1 (0.38) KDM4CPOLBKDM4EALDH1A1HPGD
SCHEMBL6971586 0.91 MEN1 (0.38) KDM4CPOLBKDM4EALDH1A1HPGD
SCHEMBL6969291 0.77 ALDH1A1 (0.39) POLBKDM4ELMNAALDH1A1MEN1
SCHEMBL6969287 0.77 ALDH1A1 (0.39) POLBKDM4ELMNAALDH1A1MEN1
SCHEMBL6975883 0.73 KDM4E (0.43) KDM4ELMNAALDH1A1MEN1KMT2A
SCHEMBL6964986 0.71 RAB9A (0.39) POLBKDM4ELMNAALDH1A1HPGD
SCHEMBL6973007 0.70 KDM4E (0.39) POLBKDM4EALDH1A1HPGDMEN1
SCHEMBL6973003 0.70 KDM4E (0.39) POLBKDM4EALDH1A1HPGDMEN1
SCHEMBL6967416 0.70 PARP1 (0.35) POLBLMNAHPGDMAPK1NPSR1

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-6011028-A Cyclic amidino agents useful as nitric oxide synthase inhibitors G.D. SEARLE & CO. (US) 2000-01-04 US disclosed