SCHEMBL8567666

SCHEMBL8567666

CCOC(=O)COc1ccc(C(CCCCCOc2cc(OCc3ccccc3)c(-c3ccc(F)cc3)cc2CC)c2nnn[nH]2)cc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 4/20 0.40
LTB4R Q15722 14/20 0.39
LTB4R2 Q9NPC1 11/20 0.39
ESR1 P03372 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36

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
SCHEMBL8568737 0.90 LTB4R (0.49) LTB4RLTB4R2
SCHEMBL8569026 0.89 NR1H4 (0.44) NR1H4LTB4RLTB4R2
SCHEMBL8565242 0.84 LTB4R (0.39) NR1H4LTB4RLTB4R2ESR1KDM4E
SCHEMBL6536626 0.82 LTB4R (0.51) LTB4RLTB4R2
SCHEMBL7631126 0.81 LTB4R (0.49) LTB4RLTB4R2
SCHEMBL7645606 0.80 LTB4R (0.54) LTB4RLTB4R2
SCHEMBL8561315 0.76 LTB4R (0.48) LTB4RLTB4R2
SCHEMBL9047532 0.75 LTB4R (0.39) NR1H4LTB4RLTB4R2
SCHEMBL27570394 0.74 LTB4R (0.49) LTB4RLTB4R2
SCHEMBL8567609 0.74 LTB4R (0.61) 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