SCHEMBL7312381

SCHEMBL7312381

Cc1cc(OCCCCCC(C(N)=O)N2CCCC2)c([N+](=O)[O-])c(C(C)O)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.38
KDM4E B2RXH2 6/20 0.38
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
L3MBTL1 Q9Y468 3/20 0.34
SLC6A4 P31645 2/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TP53 P04637 1/20 0.32
TSHR P16473 1/20 0.31
HTT P42858 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL7310612 0.86 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL7311756 0.85 ALDH1A1 (0.38) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL7312384 0.79 CNR1 (0.42) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL7320196 0.78 SLC6A2 (0.34) ALDH1A1KDM4EMEN1KMT2AL3MBTL1
SCHEMBL7318298 0.71 KDM4E (0.45) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL7314547 0.70 KDM4E (0.46) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL7313083 0.70 MAOB (0.35) ALDH1A1KDM4EMEN1KMT2ASLC6A4
SCHEMBL7314934 0.69 ALDH1A1 (0.41) ALDH1A1KDM4EMEN1LMNAKMT2A
SCHEMBL7312666 0.69 PDE4A (0.46) ALDH1A1KDM4EMEN1KMT2ATSHR
SCHEMBL7315758 0.68 SLC6A2 (0.33) SLC6A4SLC6A2SLC6A3

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