SCHEMBL7314360

SCHEMBL7314360

O=Cc1ccc(CCCCCCC(=O)O)cc1[N+](=O)[O-]

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.46
MAPT P10636 2/20 0.45
RXFP1 Q9HBX9 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
PDE2A O00408 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41
P2RY12 Q9H244 1/20 0.41
LTB4R Q15722 2/20 0.40
CYP1A2 P05177 1/20 0.40
DAGLA Q9Y4D2 1/20 0.39
TBXAS1 P24557 2/20 0.39
F13A1 P00488 3/20 0.39
S1PR1 P21453 2/20 0.39
S1PR3 Q99500 2/20 0.39
S1PR2 O95136 1/20 0.39

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
Hydrochloric Acid SCHEMBL7320704 0.99 CDK1 (0.44) CDK1MAPTRXFP1MEN1KMT2A
SCHEMBL7320700 0.88 CDK1 (0.44) CDK1MAPTMEN1KMT2ADAGLA
SCHEMBL7310102 0.83 MAPT (0.46) CDK1MAPTKMT2ATDP1PDE3B
SCHEMBL16011445 0.80 CYP1A2 (0.45) MAPTMEN1KMT2ATDP1CYP1A2
SCHEMBL7318161 0.80 ALB (0.47) MAPTMEN1KMT2ATDP1PDE2A
SCHEMBL27675236 0.79 ALDH1A1 (0.43) CDK1MAPT
SCHEMBL28961928 0.79 TSHR (0.50) CDK1MAPT
Hydrochloric Acid SCHEMBL7311375 0.79 ALB (0.46) MAPTMEN1KMT2ATDP1PDE2A
SCHEMBL7313303 0.78 PPARA (0.46) MAPTPDE2APDE3BPDE3AP2RY12
Hydrochloric Acid SCHEMBL7313969 0.77 PPARA (0.45) MAPTPDE2APDE3BPDE3AP2RY12

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