SCHEMBL7314934

SCHEMBL7314934

Cc1cc(OCCCCCC(=O)N(C)c2ccccc2)c([N+](=O)[O-])c(C(C)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
L3MBTL1 Q9Y468 1/20 0.38
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 3/20 0.36
MAPT P10636 2/20 0.36
ATM Q13315 2/20 0.36
MAPK1 P28482 1/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
THRA P10827 1/20 0.35
TSHR P16473 1/20 0.35
GAA P10253 2/20 0.35
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPC1 O15118 1/20 0.35
PPARG P37231 1/20 0.35
PPARA Q07869 1/20 0.35
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35

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
SCHEMBL7313370 0.85 ALDH1A1 (0.42) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL7315898 0.84 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL7307955 0.78 L3MBTL1 (0.43) ALDH1A1L3MBTL1KDM4ETHRAGAA
SCHEMBL7306817 0.78 ALDH1A1 (0.39) ALDH1A1KDM4EKMT2AMAPTATM
SCHEMBL7317244 0.78 PDE3B (0.41) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL7312384 0.76 CNR1 (0.42) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL7312666 0.76 PDE4A (0.46) ALDH1A1KDM4EKMT2ATSHRMEN1
SCHEMBL10376583 0.75 ALDH1A1 (0.41) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL7317466 0.75 PDE3B (0.46) ALDH1A1L3MBTL1KDM4EKMT2AMAPT
SCHEMBL7318978 0.74 PPARG (0.39) ALDH1A1L3MBTL1KDM4EKMT2AMAPT

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