SCHEMBL8563595

SCHEMBL8563595

COc1cc(O)c(-c2ccc(F)cc2)cc1Br

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.45
LTB4R Q15722 1/20 0.43
LTB4R2 Q9NPC1 1/20 0.43
HTR2A P28223 1/20 0.43
TUBB4A P04350 1/20 0.42
TUBB P07437 1/20 0.42
TUBA3C P0DPH7 1/20 0.42
TUBA1B P68363 1/20 0.42
TUBA4A P68366 1/20 0.42
TUBB4B P68371 1/20 0.42
TUBB3 Q13509 1/20 0.42
TUBB2A Q13885 1/20 0.42
TUBB8 Q3ZCM7 1/20 0.42
TUBA3E Q6PEY2 1/20 0.42
TUBA1A Q71U36 1/20 0.42
TUBA1C Q9BQE3 1/20 0.42
TUBB6 Q9BUF5 1/20 0.42
TUBB2B Q9BVA1 1/20 0.42
TUBB1 Q9H4B7 1/20 0.42
MAPK1 P28482 2/20 0.41

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
SCHEMBL8567309 0.90 FYN (0.43) FYNLTB4RLTB4R2HTR2ATUBB4A
SCHEMBL8562375 0.86 MAPK1 (0.46) FYNHTR2AMAPK1
SCHEMBL17239820 0.79 AMY1A (0.51) FYNHTR2AMAPK1MEN1KMT2A
SCHEMBL25302345 0.77 P2RX3 (0.43) FYNHTR2ATUBB4ATUBBTUBA3C
SCHEMBL30510041 0.77 P2RX3 (0.43) FYNHTR2ATUBB4ATUBBTUBA3C
SCHEMBL27028586 0.76 ALOX5 (0.44) HTR2AESR1ESR2
SCHEMBL17239818 0.75 NFE2L2 (0.50) FYN
SCHEMBL31432508 0.75 ALOX5 (0.50) FYNHTR2AALOX15
SCHEMBL5691075 0.74 AMY1A (0.52) NPC1RAB9AMAPTSMN1; SMN2NPSR1
SCHEMBL22530493 0.74 ESR1 (0.65) FYNESR1ESR2

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