SCHEMBL7320214

SCHEMBL7320214

Cc1cc(OCCCCCC(=O)N(C)C(c2ccccc2)c2ccccc2)cc(C(C)O)c1[N+](=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.39
PDE3A Q14432 1/20 0.39
ALDH1A1 P00352 3/20 0.37
THRA P10827 3/20 0.35
THRB P10828 3/20 0.35
KDM4E B2RXH2 2/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HDAC1 Q13547 4/20 0.34
HDAC3 O15379 3/20 0.34
HDAC4 P56524 3/20 0.34
HDAC7 Q8WUI4 3/20 0.34
HDAC2 Q92769 3/20 0.34
HDAC10 Q969S8 3/20 0.34
HDAC11 Q96DB2 3/20 0.34
HDAC8 Q9BY41 3/20 0.34
HDAC6 Q9UBN7 3/20 0.34
HDAC9 Q9UKV0 3/20 0.34
HDAC5 Q9UQL6 3/20 0.34
L3MBTL1 Q9Y468 2/20 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
SCHEMBL7316727 0.86 PDE3B (0.40) PDE3BPDE3AALDH1A1THRATHRB
SCHEMBL7308733 0.85 PDE3B (0.39) PDE3BPDE3AALDH1A1THRATHRB
SCHEMBL7318978 0.82 PPARG (0.39) PDE3BPDE3AALDH1A1KDM4ELMNA
SCHEMBL7315992 0.81 PDE3B (0.49) PDE3BPDE3AALDH1A1KDM4ELMNA
SCHEMBL10376732 0.74 PDE3B (0.44) PDE3BPDE3AALDH1A1KDM4ELMNA
SCHEMBL7319242 0.74 LMNA (0.40) PDE3BPDE3AALDH1A1KDM4ELMNA
SCHEMBL7310244 0.73 L3MBTL1 (0.39) PDE3BPDE3AALDH1A1THRATHRB
SCHEMBL7317629 0.73 ALDH1A1 (0.51) ALDH1A1LMNASMN1; SMN2L3MBTL1MAPT
SCHEMBL7314934 0.72 ALDH1A1 (0.41) ALDH1A1THRATHRBKDM4ELMNA
SCHEMBL10375858 0.72 ALDH1A1 (0.39) PDE3BPDE3AALDH1A1KDM4ELMNA

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