SCHEMBL7311524

SCHEMBL7311524

O=Cc1ccc(OCCCC(=O)Cl)cc1[N+](=O)[O-]

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 8/20 0.40
ALDH1A1 P00352 6/20 0.40
HPGD P15428 1/20 0.38
KDM4E B2RXH2 4/20 0.38
KMT2A Q03164 4/20 0.38
MEN1 O00255 3/20 0.38
MAPK1 P28482 3/20 0.38
CYP3A4 P08684 2/20 0.38
ALOX15 P16050 1/20 0.38
PRKDC P78527 1/20 0.38
HSD17B10 Q99714 1/20 0.38
NPC1 O15118 1/20 0.38
RAF1 P04049 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SIRT5 Q9NXA8 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

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
SCHEMBL7313964 0.96 MAPT (0.40) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL7311369 0.95 MAPT (0.39) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL7309626 0.90 SIRT5 (0.43) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL7308163 0.88 SIRT5 (0.44) MAPTALDH1A1SIRT5
Hydrochloric Acid SCHEMBL7311528 0.87 SIRT5 (0.43) MAPTALDH1A1SIRT5
SCHEMBL7317736 0.86 MAPT (0.43) MAPTALDH1A1HPGDKDM4EKMT2A
SCHEMBL7317041 0.85 MAPT (0.42) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL7321233 0.85 MAPT (0.42) MAPTALDH1A1KDM4EKMT2AMEN1
SCHEMBL7313303 0.85 PPARA (0.46) MAPTALDH1A1SIRT5
SCHEMBL7318161 0.84 ALB (0.47) MAPTKMT2AMEN1SIRT5TDP1

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