SCHEMBL8567408

SCHEMBL8567408

CCOC(=O)COc1ccc(C(C#N)CCCCCI)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.45
NPSR1 Q6W5P4 1/20 0.45
KDM4E B2RXH2 2/20 0.41
HSD17B10 Q99714 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.41
MAPT P10636 1/20 0.41
HPGD P15428 1/20 0.41
MAPK1 P28482 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
PTPN1 P18031 1/20 0.39
CCR1 P32246 1/20 0.39
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
POLB P06746 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
TBXAS1 P24557 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
SCHEMBL8561446 0.90 GAA (0.46) GAANPSR1KDM4EHSD17B10ALDH1A1
SCHEMBL8561236 0.76 FFAR1 (0.40) KDM4EHSD17B10ALDH1A1TP53MAPT
SCHEMBL8565673 0.75 MAOB (0.43) MAPTHPGDMAPK1SMN1; SMN2CCR1
SCHEMBL2624372 0.72 GAA (0.62) GAANPSR1KDM4EHSD17B10ALDH1A1
SCHEMBL1251594 0.72 GAA (0.62) GAANPSR1KDM4EHSD17B10ALDH1A1
SCHEMBL7835269 0.70 HDAC1 (0.46) GAAALDH1A1CCR1PPARGPPARA
SCHEMBL9705564 0.70 CYP3A4 (0.49) GAAALDH1A1SMN1; SMN2PTPN1POLB
SCHEMBL11815554 0.69 GAA (0.72) GAANPSR1KDM4EHSD17B10ALDH1A1
SCHEMBL24675593 0.69 GAA (0.59) GAANPSR1KDM4EHSD17B10ALDH1A1
SCHEMBL6577434 0.69 GAA (0.59) GAANPSR1KDM4EHSD17B10ALDH1A1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0544488-B1 Substituted phenyl phenol leukotriene antagonists LILLY CO ELI (US) 1998-03-11 EP disclosed
WO-1996036347-A1 USE OF LEUKOTRIENE ANTAGONISTS FOR ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1996-11-21 WO disclosed
EP-0743064-A1 Leukotriene antagonists for use in the treatment or prevention of alzheimer's disease ELI LILLY AND COMPANY (US) 1996-11-20 EP disclosed
US-5462954-A Antiinflammatory, antiallergens; treating asthma ELI LILLY AND COMPANY (US) 1995-10-31 US disclosed
EP-0544488-A2 Substituted phenyl phenol leukotriene antagonists ELI LILLY AND COMPANY (US) 1993-06-02 EP disclosed