SCHEMBL9465419

SCHEMBL9465419

CCCCCCCCC(=O)CCCOC(C(=O)CCCCCCCC)N1CNc2c1nc(N)[nH]c2=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ HPRT1 P00492 8/20 0.39
▸ NOS1 P29475 1/20 0.38
▸ MEN1 O00255 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ GAA P10253 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ PNP P00491 1/20 0.32
▸ DHFR P00374 1/20 0.31

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
SCHEMBL9465225 1.00 HPRT1 (0.39) HPRT1NOS1MEN1ALDH1A1GAA
SCHEMBL9463849 1.00 HPRT1 (0.39) HPRT1NOS1MEN1ALDH1A1GAA
SCHEMBL9463588 1.00 HPRT1 (0.39) HPRT1NOS1MEN1ALDH1A1GAA
SCHEMBL9463488 1.00 HPRT1 (0.39) HPRT1NOS1MEN1ALDH1A1GAA
SCHEMBL9464175 1.00 HPRT1 (0.39) HPRT1NOS1MEN1ALDH1A1GAA
SCHEMBL9463975 1.00 HPRT1 (0.39) HPRT1NOS1MEN1ALDH1A1GAA
SCHEMBL9463484 1.00 HPRT1 (0.39) HPRT1NOS1MEN1ALDH1A1GAA
SCHEMBL9463583 1.00 HPRT1 (0.39) HPRT1NOS1MEN1ALDH1A1GAA
SCHEMBL9463654 1.00 HPRT1 (0.39) HPRT1NOS1MEN1ALDH1A1GAA
SCHEMBL9463895 1.00 HPRT1 (0.39) HPRT1NOS1MEN1ALDH1A1GAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5225590-A Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1993-07-06 — — US disclosed
EP-0187297-B1 ALKOXY METHYL ETHER AND ALKOXY METHYL ESTER DERIVATIVES SYNTEX (U.S.A.) INC. (US) 1991-08-21 — — EP disclosed
EP-0187297-A2 Alkoxy methyl ether and alkoxy methyl ester derivatives SYNTEX (U.S.A.) INC. (US) 1986-07-16 — — EP disclosed
Send feedback