SCHEMBL7314467

SCHEMBL7314467

Cc1ccc(OC(CCCC(N)=O)N2CCCC3CCCCC32)c(C(C)O)c1[N+](=O)[O-]

nearest known ligand 0.32

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.31
KDM4E B2RXH2 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 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
SCHEMBL7316139 0.88 ALDH1A1 (0.31) ALDH1A1KDM4ELMNAHTT
SCHEMBL7310854 0.87 ALDH1A1 (0.31) ALDH1A1KDM4ELMNAHTT
SCHEMBL7319899 0.84 KDM4E (0.31) KDM4E
SCHEMBL7309670 0.80 KDM4E (0.35) ALDH1A1KDM4ELMNAHTT
SCHEMBL7306837 0.78 KDM4E (0.30) KDM4E
SCHEMBL7314458 0.74 ALDH1A1 (0.36) ALDH1A1KDM4ELMNAHTT
SCHEMBL10376949 0.72 ALDH1A1 (0.34) ALDH1A1KDM4ELMNA
SCHEMBL7316434 0.70 MAPT (0.35) ALDH1A1KDM4E
SCHEMBL7312257 0.69 ALDH1A1 (0.37) ALDH1A1LMNAHTT
SCHEMBL7318140 0.69 PDE3B (0.35)

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-4670434-A ANTICOAGULANT, INOTROPIC AGENT SYNTEX (U.S.A.) INC. (US) 1987-06-02 US disclosed