SCHEMBL7306819

SCHEMBL7306819

O=Cc1cc(OCCCCC(=O)N(C2CCCCC2)C2CCCCC2)c(Cl)cc1[N+](=O)[O-]

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
GAA P10253 2/20 0.37
KDM4E B2RXH2 2/20 0.37
CYP3A4 P08684 1/20 0.37
MAPT P10636 1/20 0.37
ALOX15 P16050 1/20 0.37
PRKDC P78527 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MEN1 O00255 1/20 0.37
NPSR1 Q6W5P4 3/20 0.35
LMNA P02545 2/20 0.35
SIGMAR1 Q99720 2/20 0.35
PTGDR2 Q9Y5Y4 1/20 0.34
HTT P42858 2/20 0.34
HPGD P15428 2/20 0.34
TSHR P16473 1/20 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
SCHEMBL7316866 0.85 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7320170 0.84 KMT2A (0.37) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A
SCHEMBL7317426 0.82 ALDH1A1 (0.46) ALDH1A1SMN1; SMN2KMT2ARAB9AGAA
SCHEMBL7310329 0.81 HPGD (0.44) ALDH1A1KMT2AGAAKDM4ECYP3A4
Hydrochloric Acid SCHEMBL7313878 0.81 ALDH1A1 (0.45) ALDH1A1SMN1; SMN2KMT2ARAB9AGAA
SCHEMBL7318928 0.81 MAPT (0.45) ALDH1A1SMN1; SMN2KMT2ARAB9AGAA
SCHEMBL7313873 0.81 MAPT (0.45) ALDH1A1SMN1; SMN2KMT2ARAB9AGAA
Hydrochloric Acid SCHEMBL7312227 0.80 MAPT (0.44) ALDH1A1SMN1; SMN2KMT2ARAB9AGAA
SCHEMBL7312215 0.80 MAPT (0.44) ALDH1A1SMN1; SMN2KMT2ARAB9AGAA
SCHEMBL7311762 0.80 PDE3B (0.37) ALDH1A1SMN1; SMN2KMT2ANPC1RAB9A

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