SCHEMBL7312384

SCHEMBL7312384

Cc1cc(OCCCCCCC(=O)NN2CCCC2)c([N+](=O)[O-])c(C(C)O)c1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
ALDH1A1 P00352 11/20 0.41
KDM4E B2RXH2 6/20 0.41
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
MAPT P10636 3/20 0.36
CYSLTR2 Q9NS75 1/20 0.35
CYSLTR1 Q9Y271 1/20 0.35
HPGD P15428 1/20 0.35
NLRP1 Q9C000 1/20 0.35
TSHR P16473 1/20 0.34
HTT P42858 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TP53 P04637 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 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
SCHEMBL7310614 0.85 CNR1 (0.43) CNR1CNR2ALDH1A1KDM4EMEN1
SCHEMBL7311758 0.85 CNR2 (0.42) CNR1CNR2ALDH1A1KDM4EMEN1
SCHEMBL7312381 0.79 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7320203 0.78 CNR1 (0.42) CNR1CNR2ALDH1A1KDM4EMEN1
SCHEMBL7314934 0.76 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1KMT2ALMNA
SCHEMBL7318303 0.74 KDM4E (0.47) CNR1CNR2ALDH1A1KDM4EMEN1
SCHEMBL7314553 0.73 KDM4E (0.48) CNR1CNR2ALDH1A1KDM4EMEN1
SCHEMBL7312666 0.72 PDE4A (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL7315012 0.71 KMT2A (0.40) CNR1CNR2ALDH1A1KDM4EMEN1
SCHEMBL7319891 0.71 KDM4E (0.37) CNR1CNR2ALDH1A1KDM4EMEN1

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