SCHEMBL8562239

SCHEMBL8562239

COc1cc(OCCCCl)c(C(C)=O)cc1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.45
LMNA P02545 3/20 0.45
ALDH1A1 P00352 2/20 0.42
MAPT P10636 2/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42
BCL9 O00512 4/20 0.42
CTNNB1 P35222 4/20 0.42
SYK P43405 1/20 0.42
LTB4R Q15722 1/20 0.41
LTB4R2 Q9NPC1 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
MAOB P27338 2/20 0.39
MAOA P21397 1/20 0.39
TP53 P04637 2/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
CYP3A4 P08684 1/20 0.38
TSHR P16473 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
SCHEMBL8565876 0.86 LTB4R (0.43) SMN1; SMN2BCL9CTNNB1LTB4RLTB4R2
SCHEMBL8567276 0.86 SLC6A4 (0.45) SMN1; SMN2ALDH1A1GAAHTTSYK
SCHEMBL8565315 0.80 L3MBTL1 (0.41) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL8562060 0.78 HTT (0.58) ALDH1A1MAPTHTTSYKLTB4R
SCHEMBL8567880 0.76 LTB4R (0.46) LTB4RLTB4R2
SCHEMBL8560925 0.75 LTB4R (0.51) LTB4RLTB4R2BACE1
SCHEMBL15126033 0.73 LTB4R (0.49) LTB4RLTB4R2
SCHEMBL8562241 0.73 SYK (0.44) LMNAALDH1A1MAPTL3MBTL1GAA
SCHEMBL6566562 0.72 LMNA (0.47) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1
SCHEMBL6099384 0.71 ALDH1A1 (0.46) SMN1; SMN2LMNAALDH1A1MAPTL3MBTL1

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