SCHEMBL8565242

SCHEMBL8565242

CCOC(=O)COc1ccc(C(C#N)CCCCCOc2cc(OCc3ccccc3)c(-c3ccc(F)cc3)cc2CC)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 14/20 0.39
LTB4R2 Q9NPC1 12/20 0.39
ESR1 P03372 1/20 0.39
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR34 Q9UPC5 1/20 0.36
NR1H4 Q96RI1 1/20 0.36
PTPN1 P18031 1/20 0.35
FFAR1 O14842 1/20 0.35

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
SCHEMBL8564707 0.88 LTB4R (0.43) LTB4RLTB4R2NR1H4
SCHEMBL8567342 0.87 NR1H4 (0.39) ESR1KDM4EALDH1A1TP53MAPT
SCHEMBL8561236 0.85 FFAR1 (0.40) ESR1KDM4EALDH1A1TP53MAPT
SCHEMBL8567666 0.84 NR1H4 (0.40) LTB4RLTB4R2ESR1KDM4EALDH1A1
SCHEMBL8565673 0.80 MAOB (0.43) MAPTHPGDNR1H4FFAR1
SCHEMBL8567609 0.77 LTB4R (0.61) LTB4RLTB4R2
SCHEMBL8560969 0.77 LTB4R (0.52) LTB4RLTB4R2
SCHEMBL6756183 0.76 LTB4R (0.48) LTB4RLTB4R2
SCHEMBL8568217 0.75 LTB4R (0.64) LTB4RLTB4R2
SCHEMBL8568186 0.74 LTB4R (0.56) LTB4RLTB4R2

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