SCHEMBL7318409

SCHEMBL7318409

Cc1cc(C=O)c([N+](=O)[O-])cc1OCCCCCC(=O)Cl

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
MAPT P10636 5/20 0.46
KDM4E B2RXH2 4/20 0.46
CYP3A4 P08684 1/20 0.46
ALOX15 P16050 1/20 0.46
PRKDC P78527 1/20 0.46
HSD17B10 Q99714 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 2/20 0.38
THRA P10827 1/20 0.38
THRB P10828 1/20 0.38
PRSS1 P07477 3/20 0.37
TDP1 Q9NUW8 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
HPGD P15428 1/20 0.35
SMN1; SMN2 Q16637 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
SCHEMBL27118714 0.89 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7321047 0.89 ALDH1A1 (0.47) ALDH1A1MAPTKDM4ECYP3A4ALOX15
Hydrochloric Acid SCHEMBL7318415 0.88 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7309433 0.86 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7311275 0.86 MAPT (0.45) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL10376957 0.85 ALDH1A1 (0.45) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7312215 0.85 MAPT (0.44) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7313873 0.83 MAPT (0.45) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7315491 0.82 MAPT (0.46) ALDH1A1MAPTKDM4ECYP3A4ALOX15
SCHEMBL7319139 0.82 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ECYP3A4ALOX15

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