SCHEMBL8562583

SCHEMBL8562583

CCc1cc(-c2cccc(C(F)(F)F)c2)c(OCc2ccccc2)cc1OCCCCCC(C)(C)C#N

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 9/20 0.50
LTB4R2 Q9NPC1 9/20 0.50
NR1H4 Q96RI1 4/20 0.46
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
DHODH Q02127 1/20 0.37
KIFC1 Q9BW19 1/20 0.37
PTGER1 P34995 1/20 0.37

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
SCHEMBL8568257 0.90 NR1H4 (0.52) LTB4RLTB4R2NR1H4
SCHEMBL8568097 0.90 LTB4R (0.49) LTB4RLTB4R2NR1H4
SCHEMBL6757622 0.89 NR1H4 (0.51) LTB4RLTB4R2NR1H4
SCHEMBL8563594 0.89 LTB4R (0.48) LTB4RLTB4R2NR1H4
SCHEMBL8563668 0.87 LTB4R (0.49) LTB4RLTB4R2NR1H4DHODH
SCHEMBL8563809 0.86 NR1H4 (0.46) LTB4RLTB4R2NR1H4PTPN1PTGER1
SCHEMBL6758945 0.86 NR1H4 (0.49) LTB4RLTB4R2NR1H4
SCHEMBL8571262 0.86 LTB4R (0.66) LTB4RLTB4R2
SCHEMBL6759116 0.85 NR1H4 (0.47) LTB4RLTB4R2NR1H4
SCHEMBL8563732 0.85 NR1H4 (0.49) LTB4RLTB4R2NR1H4

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