SCHEMBL21229892

SCHEMBL21229892

CCCCCN(CCC)c1ccc(/C=C/c2ccc(C=O)s2)c(OCc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 1/20 0.44
SLC16A3 O15427 2/20 0.39
SLC16A1 P53985 2/20 0.39
HDAC8 Q9BY41 1/20 0.37
CCNB2 O95067 1/20 0.36
CDK1 P06493 1/20 0.36
CDK4 P11802 1/20 0.36
CCNB1 P14635 1/20 0.36
CCND1 P24385 1/20 0.36
CCNB3 Q8WWL7 1/20 0.36
BCHE P06276 5/20 0.36
APP P05067 1/20 0.35
PTGER1 P34995 1/20 0.34
PTGER4 P35408 1/20 0.34
PTGER3 P43115 1/20 0.34
PTGER2 P43116 1/20 0.34
ATG4B Q9Y4P1 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL11934281 0.97 BACE1 (0.45) BACE1SLC16A3SLC16A1HDAC8CCNB2
SCHEMBL11934172 0.95 BACE1 (0.46) BACE1SLC16A3SLC16A1HDAC8CCNB2
SCHEMBL10010555 0.95 BACE1 (0.46) BACE1SLC16A3SLC16A1HDAC8CCNB2
SCHEMBL10010288 0.92 BACE1 (0.45) BACE1SLC16A3SLC16A1HDAC8CCNB2
SCHEMBL11934282 0.92 BACE1 (0.45) BACE1SLC16A3SLC16A1HDAC8CCNB2
SCHEMBL21176726 0.89 BACE1 (0.44) BACE1SLC16A3SLC16A1HDAC8CCNB2
SCHEMBL30945337 0.89 BACE1 (0.44) BACE1SLC16A3SLC16A1HDAC8CCNB2
SCHEMBL20954438 0.89 BACE1 (0.44) BACE1SLC16A3SLC16A1HDAC8CCNB2
SCHEMBL11934213 0.86 HDAC8 (0.42) BACE1SLC16A3SLC16A1HDAC8ALDH1A1
SCHEMBL21191543 0.85 BACE1 (0.46) BACE1HDAC8CCNB2CDK1CDK4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019151318-A1 ELECTRO-OPTICAL POLYMER 国立研究開発法人情報通信研究機構 2019-08-08 WO disclosed