SCHEMBL9701443

SCHEMBL9701443

CCCOc1cccc(-c2ccc(C#N)c(=O)[nH]2)c1OCCC

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.44
KDM4E B2RXH2 4/20 0.44
GLA P06280 2/20 0.44
GAA P10253 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
BCAT2 O15382 1/20 0.41
BCAT1 P54687 1/20 0.41
MDM2 Q00987 1/20 0.38
FFAR4 Q5NUL3 1/20 0.38
PDE5A O76074 10/20 0.38
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
PDE2A O00408 1/20 0.38
PDE6D O43924 1/20 0.38
USP2 O75604 1/20 0.38
PDE9A O76083 1/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 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
SCHEMBL7644788 0.89 PDE5A (0.45) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7646385 0.83 PDE5A (0.44) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7650243 0.80 ALDH1A1 (0.41) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7646365 0.79 PDE5A (0.50) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7646452 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7576593 0.79 ALDH1A1 (0.42) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9526882 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL9702581 0.79 ALDH1A1 (0.44) ALDH1A1KDM4EGLAGAAL3MBTL1
SCHEMBL7365834 0.78 FFAR4 (0.39) ALDH1A1KDM4EGLAFFAR4PDE5A
SCHEMBL7376004 0.78 PDE5A (0.50) ALDH1A1KDM4EGLAGAAL3MBTL1

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
WO-1992006085-A1 PHENYLPYRIDINOL DERIVATIVES AS MEDICAMENTS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-04-16 WO disclosed