SCHEMBL7315237

SCHEMBL7315237

CN(CC1CCCC1)C(=O)CCCOc1cc([N+](=O)[O-])c(C=O)cc1Cl

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 4/20 0.37
MAPT P10636 3/20 0.37
CYP3A4 P08684 2/20 0.37
KDM4E B2RXH2 1/20 0.37
ALOX15 P16050 1/20 0.37
PRKDC P78527 1/20 0.37
HSD17B10 Q99714 1/20 0.37
BACE1 P56817 1/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 2/20 0.37
APOBEC3A P31941 1/20 0.37
APOBEC3G Q9HC16 1/20 0.37
SCN9A Q15858 6/20 0.36
SMN1; SMN2 Q16637 4/20 0.35
GAA P10253 2/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 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
SCHEMBL7314747 0.84 SIGMAR1 (0.38) SIGMAR1ALDH1A1MAPTCYP3A4KDM4E
SCHEMBL10375971 0.83 HPGD (0.44) ALDH1A1CYP3A4KDM4EHSD17B10KMT2A
SCHEMBL7308201 0.80 TDP1 (0.39) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL10377026 0.79 HPGD (0.40) ALDH1A1MAPTCYP3A4KDM4EHSD17B10
SCHEMBL7318720 0.78 ALDH1A1 (0.47) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL7306819 0.78 ALDH1A1 (0.38) SIGMAR1ALDH1A1MAPTCYP3A4KDM4E
Hydrochloric Acid SCHEMBL7315495 0.78 MAPT (0.46) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL7315491 0.78 MAPT (0.46) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL7312076 0.77 THRB (0.45) ALDH1A1MAPTCYP3A4KDM4EALOX15
SCHEMBL7310214 0.77 MAPT (0.44) ALDH1A1MAPTCYP3A4KDM4EALOX15

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