SCHEMBL5599403

SCHEMBL5599403

COCCN(C(=O)C1CCC(C)CC1)c1oc(-c2ccc(-c3cc4ncccn4n3)cc2)cc1C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.35
DGAT1 O75907 1/20 0.34
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32
OPRM1 P35372 1/20 0.31
OPRD1 P41143 1/20 0.31
IDH1 O75874 1/20 0.30
SYK P43405 1/20 0.30
NAMPT P43490 1/20 0.30
CFTR P13569 1/20 0.30

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
SCHEMBL5599399 1.00 ALDH1A1 (0.35) ALDH1A1DGAT1APOBEC3AAPOBEC3GOPRM1
SCHEMBL5611023 0.92 TP53 (0.35) ALDH1A1DGAT1
SCHEMBL5611015 0.92 TP53 (0.35) ALDH1A1DGAT1
SCHEMBL5599047 0.84 APOBEC3A (0.35) APOBEC3AAPOBEC3GSYK
SCHEMBL5599054 0.84 APOBEC3A (0.35) APOBEC3AAPOBEC3GSYK
SCHEMBL14370497 0.83 ALDH1A1 (0.37) ALDH1A1DGAT1IDH1
SCHEMBL5404822 0.83 ALDH1A1 (0.35) ALDH1A1APOBEC3AAPOBEC3GSYKCFTR
SCHEMBL5404818 0.83 ALDH1A1 (0.35) ALDH1A1APOBEC3AAPOBEC3GSYKCFTR
SCHEMBL4726527 0.80 ALDH1A1 (0.39) ALDH1A1APOBEC3AAPOBEC3GOPRM1OPRD1
SCHEMBL4726531 0.80 ALDH1A1 (0.39) ALDH1A1APOBEC3AAPOBEC3GOPRM1OPRD1

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
WO-2007147794-A1 FURAN DERIVATIVES AND THEIR USE AS ANTIVIRAL AGENTS SMITHKLINE BEECHAM CORPORATION (US) 2007-12-27 WO disclosed