SCHEMBL9319637

SCHEMBL9319637

CC(C)(C)[Si](C)(C)OCc1ccccc1/C=C/C=C/C=O

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.56
CDK4 P11802 4/20 0.46
CCND1 P24385 4/20 0.46
CCNB2 O95067 2/20 0.38
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNB3 Q8WWL7 2/20 0.38

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
SCHEMBL2082920 0.83 BACE1 (0.56) BACE1CDK4CCND1
SCHEMBL30219107 0.83 BACE1 (0.56) BACE1CDK4CCND1
SCHEMBL9318861 0.83 BACE1 (0.55) BACE1CDK4CCND1
SCHEMBL28566740 0.78 BACE1 (0.69) BACE1
SCHEMBL26096587 0.76 BACE1 (0.53) BACE1CDK4CCND1
SCHEMBL21507145 0.74 BACE1 (0.64) BACE1
SCHEMBL3907028 0.74 BACE1 (0.48) BACE1CDK4CCND1
SCHEMBL6434846 0.74 BACE1 (0.51) BACE1
SCHEMBL8772163 0.74 CCNB2 (0.44) BACE1CDK4CCND1CCNB2CDK1
SCHEMBL6436782 0.74 BACE1 (0.51) BACE1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0344096-B1 Leukotriene B4 derivatives, their preparation and use as medicines SCHERING AG (DE) 1994-01-05 EP disclosed
WO-1989011469-A1 NEW LEUKOTRIENE-B4-DERIVATES, PROCESS FOR PRODUCING THE SAME AND THEIR USE AS MEDICAMENTS SCHERING AKTIENGESELLSCHAFT BERLIN UND BERGKAMEN (DE) 1989-11-30 WO disclosed
EP-0344096-A1 Leukotriene B4 derivatives, their preparation and use as medicines SCHERING AKTIENGESELLSCHAFT (DE) 1989-11-29 EP disclosed