SCHEMBL7315992

SCHEMBL7315992

CC(O)c1cc(OCCCC(=O)N(C)C(c2ccccc2)c2ccccc2)ccc1[N+](=O)[O-]

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49
ALDH1A1 P00352 6/20 0.43
MAPK1 P28482 5/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAPT P10636 6/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
RAB9A P51151 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
PKM P14618 2/20 0.38
NPC1 O15118 2/20 0.38
POLB P06746 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
RECQL P46063 1/20 0.38

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
SCHEMBL7317629 0.90 ALDH1A1 (0.51) ALDH1A1MAPK1MAPTSMN1; SMN2RAB9A
SCHEMBL7317466 0.86 PDE3B (0.46) PDE3BPDE3AALDH1A1MAPK1KDM4E
SCHEMBL7318784 0.85 PDE3B (0.47) PDE3BPDE3AALDH1A1MAPK1KDM4E
SCHEMBL7306695 0.84 PDE3B (0.47) PDE3BPDE3AALDH1A1MAPK1KDM4E
SCHEMBL7309568 0.84 PDE3B (0.47) PDE3BPDE3AALDH1A1MAPK1KDM4E
SCHEMBL10375666 0.83 PDE3B (0.47) PDE3BPDE3AALDH1A1MAPK1KDM4E
SCHEMBL7313188 0.83 LMNA (0.52) PDE3BPDE3AALDH1A1MAPK1KDM4E
SCHEMBL21029934 0.82 SIRT5 (0.46) ALDH1A1MAPK1KDM4EMEN1KMT2A
SCHEMBL7320214 0.81 PDE3B (0.39) PDE3BPDE3AALDH1A1MAPK1KDM4E
SCHEMBL10376732 0.81 PDE3B (0.44) PDE3BPDE3AALDH1A1MAPK1KDM4E

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