SCHEMBL7313873

SCHEMBL7313873

O=Cc1cc(OCCCCC(=O)Cl)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.45
ALDH1A1 P00352 5/20 0.45
CYP3A4 P08684 2/20 0.45
KDM4E B2RXH2 1/20 0.45
ALOX15 P16050 1/20 0.45
PRKDC P78527 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAB9A P51151 1/20 0.37
GAA P10253 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
MEN1 O00255 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
KMT2A Q03164 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
S1PR4 O95977 1/20 0.37
PRSS1 P07477 4/20 0.36
HTT P42858 2/20 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
SCHEMBL7312215 0.99 MAPT (0.44) MAPTALDH1A1CYP3A4KDM4EALOX15
SCHEMBL7308999 0.96 MAPT (0.46) MAPTALDH1A1CYP3A4KDM4EALOX15
SCHEMBL7311275 0.95 MAPT (0.45) MAPTALDH1A1CYP3A4KDM4EALOX15
SCHEMBL7315491 0.91 MAPT (0.46) MAPTALDH1A1CYP3A4KDM4EALOX15
SCHEMBL7317426 0.91 ALDH1A1 (0.46) MAPTALDH1A1CYP3A4KDM4EALOX15
Hydrochloric Acid SCHEMBL7313878 0.90 ALDH1A1 (0.45) MAPTALDH1A1CYP3A4KDM4EALOX15
SCHEMBL7318928 0.90 MAPT (0.45) MAPTALDH1A1CYP3A4KDM4EALOX15
Hydrochloric Acid SCHEMBL7312227 0.89 MAPT (0.44) MAPTALDH1A1CYP3A4KDM4EALOX15
SCHEMBL7307761 0.88 ALDH1A1 (0.47) MAPTALDH1A1CYP3A4KDM4EALOX15
Hydrochloric Acid SCHEMBL7309003 0.86 MAPT (0.46) MAPTALDH1A1CYP3A4KDM4EALOX15

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