SCHEMBL7316727

SCHEMBL7316727

CC(=O)c1cc(OCCCCCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc(C)c1[N+](=O)[O-]

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.40
PDE3A Q14432 1/20 0.40
ALDH1A1 P00352 4/20 0.36
MAOB P27338 5/20 0.35
L3MBTL1 Q9Y468 3/20 0.35
MAPT P10636 3/20 0.35
THRA P10827 2/20 0.34
THRB P10828 2/20 0.34
LMNA P02545 2/20 0.34
KMT2A Q03164 2/20 0.34
POLB P06746 1/20 0.34
PKM P14618 1/20 0.34
OPRM1 P35372 1/20 0.34
OPRD1 P41143 1/20 0.34
KDM4E B2RXH2 2/20 0.33
MEN1 O00255 1/20 0.33
MAPK1 P28482 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7308733 0.86 PDE3B (0.39) PDE3BPDE3AALDH1A1L3MBTL1MAPT
SCHEMBL7320214 0.86 PDE3B (0.39) PDE3BPDE3AALDH1A1L3MBTL1MAPT
SCHEMBL7319242 0.82 LMNA (0.40) PDE3BPDE3AALDH1A1L3MBTL1MAPT
SCHEMBL7318784 0.81 PDE3B (0.47) PDE3BPDE3AALDH1A1MAOBL3MBTL1
SCHEMBL10376732 0.75 PDE3B (0.44) PDE3BPDE3AALDH1A1L3MBTL1MAPT
SCHEMBL7310244 0.74 L3MBTL1 (0.39) PDE3BPDE3AALDH1A1L3MBTL1MAPT
SCHEMBL7318978 0.74 PPARG (0.39) PDE3BPDE3AALDH1A1L3MBTL1MAPT
SCHEMBL10375858 0.72 ALDH1A1 (0.39) PDE3BPDE3AALDH1A1L3MBTL1MAPT
SCHEMBL7312404 0.72 ALDH1A1 (0.49) ALDH1A1MAOBL3MBTL1MAPTLMNA
SCHEMBL10375666 0.71 PDE3B (0.47) PDE3BPDE3AALDH1A1L3MBTL1MAPT

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