SCHEMBL8567276

SCHEMBL8567276

COc1cc(OC)c(-c2ccc(F)cc2)cc1C(C)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SYK P43405 1/20 0.43
BACE1 P56817 1/20 0.43
TUBB4A P04350 4/20 0.43
TUBB P07437 4/20 0.43
TUBA3C P0DPH7 4/20 0.43
TUBA1B P68363 4/20 0.43
TUBA4A P68366 4/20 0.43
TUBB4B P68371 4/20 0.43
TUBB3 Q13509 4/20 0.43
TUBB2A Q13885 4/20 0.43
TUBB8 Q3ZCM7 4/20 0.43
TUBA3E Q6PEY2 4/20 0.43
TUBA1A Q71U36 4/20 0.43
TUBA1C Q9BQE3 4/20 0.43
TUBB6 Q9BUF5 4/20 0.43
TUBB2B Q9BVA1 4/20 0.43
TUBB1 Q9H4B7 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.43

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
SCHEMBL8562060 0.88 HTT (0.58) SLC6A4SLC6A3SYKBACE1TUBB4A
SCHEMBL8562239 0.86 SMN1; SMN2 (0.45) SYKBACE1SMN1; SMN2NPC1RAB9A
SCHEMBL6099384 0.81 ALDH1A1 (0.46) TUBB4ATUBBTUBA3CTUBA1BTUBA4A
SCHEMBL11540681 0.78 ALDH1A1 (0.53) SYKTUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1020142 0.76 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACA9KDM4E
SCHEMBL30134039 0.76 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACA9KDM4E
SCHEMBL43492 0.76 PIN1 (0.49) SMN1; SMN2NPC1RAB9ACA9KDM4E
SCHEMBL29786805 0.76 AKR1C3 (0.52) BACE1
SCHEMBL3796520 0.76 PDE4D (0.47) SYKSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL8562375 0.75 MAPK1 (0.46) SYK

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