SCHEMBL20769818

SCHEMBL20769818

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nearest known ligand 0.77

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 1/20 0.77
CCNB1 P14635 1/20 0.77
CA2 P00918 1/20 0.50
CA9 Q16790 1/20 0.50
LDHA P00338 1/20 0.43
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
EPHX2 P34913 3/20 0.41
ADORA1 P30542 1/20 0.38
GAA P10253 1/20 0.36
TYR P14679 1/20 0.36
PTPN1 P18031 1/20 0.36
ACHE P22303 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 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
SCHEMBL245645 0.99 CDK1 (0.79) CDK1CCNB1CA2CA9LDHA
SCHEMBL26646509 0.97 CDK1 (0.77) CDK1CCNB1CA2CA9LDHA
SCHEMBL5402436 0.92 CDK1 (0.70) CDK1CCNB1CA2CA9LDHA
SCHEMBL28312678 0.92 CDK1 (0.70) CDK1CCNB1CA2CA9LDHA
Sucrose SCHEMBL106974 0.92 CDK1 (0.80) CDK1CCNB1CA2CA9LDHA
Sucrose SCHEMBL28123662 0.92 CDK1 (0.80) CDK1CCNB1CA2CA9LDHA
Sucrose SCHEMBL20769817 0.92 CDK1 (0.80) CDK1CCNB1CA2CA9LDHA
SCHEMBL23160864 0.91 CDK1 (0.72) CDK1CCNB1CA2CA9LDHA
SCHEMBL98497 0.91 CDK1 (0.75) CDK1CCNB1CA2CA9LDHA
SCHEMBL936132 0.90 CDK1 (0.67) CDK1CCNB1CA2CA9LDHA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3675838-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS Puretecch LYT, Inc. (US) 2020-07-08 EP disclosed
WO-2019046491-A1 LYMPHATIC SYSTEM-DIRECTING LIPID PRODRUGS ARIYA THERAPEUTICS, INC. (US) 2019-03-07 WO disclosed