SCHEMBL8567309

SCHEMBL8567309

COc1cc(O)c(Br)cc1-c1ccc(F)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41
TUBB8 Q3ZCM7 1/20 0.41
TUBA3E Q6PEY2 1/20 0.41
TUBA1A Q71U36 1/20 0.41
TUBA1C Q9BQE3 1/20 0.41
TUBB6 Q9BUF5 1/20 0.41
TUBB2B Q9BVA1 1/20 0.41
TUBB1 Q9H4B7 1/20 0.41
ERN1 O75460 1/20 0.40
HSP90AA1 P07900 1/20 0.39
ESR1 P03372 1/20 0.39
ESR2 Q92731 1/20 0.39

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
SCHEMBL8563595 0.90 FYN (0.45) FYNTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8562375 0.86 MAPK1 (0.46) FYNMAPK1HTR2A
SCHEMBL30510041 0.81 P2RX3 (0.43) FYNTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL25302345 0.81 P2RX3 (0.43) FYNTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8562060 0.77 HTT (0.58) FYNTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL17239820 0.76 AMY1A (0.51) FYNMEN1MAPK1KMT2AHTR2A
SCHEMBL22530493 0.75 ESR1 (0.65) FYNESR1ESR2GUSB
SCHEMBL29392744 0.75 ESR1 (0.65) FYNESR1ESR2GUSB
SCHEMBL5691075 0.75 AMY1A (0.52) ERN1NPC1MAPTRAB9ASMN1; SMN2
SCHEMBL7788363 0.74 ALOX5 (0.48) PTPN1DPP4HTR2A

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