SCHEMBL17368660

SCHEMBL17368660

Cc1cc(O)c(C(C)C)c2oc(-c3ccc(O)cc3)cc(=O)c12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 2/20 0.54
▸ CDK5R1 Q15078 2/20 0.54
▸ PTPN1 P18031 1/20 0.54
▸ CBS P35520 1/20 0.54
▸ KMT2A Q03164 4/20 0.53
▸ MAPT P10636 3/20 0.53
▸ PKM P14618 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ APEX1 P27695 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ INPPL1 O15357 1/20 0.53
▸ ALPL P05186 1/20 0.53
▸ POLB P06746 1/20 0.53
▸ ALPI P09923 1/20 0.53
▸ GAA P10253 1/20 0.53
▸ ALPG P10696 1/20 0.53
▸ RECQL P46063 1/20 0.53
▸ BLM P54132 1/20 0.53
▸ MCL1 Q07820 1/20 0.53
▸ PFKFB3 Q16875 1/20 0.53

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
SCHEMBL24827509 0.90 CBS (0.68) CDK5CDK5R1PTPN1CBSKMT2A
SCHEMBL29149138 0.79 ABCB1 (0.67) CDK5CDK5R1PTPN1CBSKMT2A
SCHEMBL14066713 0.74 CBS (0.74) CDK5CDK5R1PTPN1CBSKMT2A
SCHEMBL23299597 0.73 CDK5 (0.72) CDK5CDK5R1PTPN1CBSKMT2A
SCHEMBL14749128 0.72 MAPT (0.73) CDK5CDK5R1KMT2AMAPTPKM
SCHEMBL30269735 0.71 KMT2A (0.68) CDK5CDK5R1PTPN1CBSKMT2A
SCHEMBL29615754 0.71 KMT2A (0.68) CDK5CDK5R1PTPN1CBSKMT2A
Cupressuflavone SCHEMBL505213 0.71 CBS (1.00) CDK5CDK5R1PTPN1CBSKMT2A
Cupressuflavone SCHEMBL31670258 0.71 CBS (1.00) CDK5CDK5R1PTPN1CBSKMT2A
SCHEMBL24840880 0.71 KMT2A (0.72) CDK5CDK5R1PTPN1CBSKMT2A

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
US-20150374021-A1 REDUCED SODIUM FOOD PRODUCTS GENERAL MILLS, INC. 2015-12-31 — — US disclosed
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