SCHEMBL9071910

SCHEMBL9071910

CC(C)c1ccc(CCCCC(=O)Nc2ncc(SCC(=O)O)s2)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 7/20 0.47
▸ CDK2 P24941 7/20 0.47
▸ CCNE2 O96020 5/20 0.47
▸ HDAC3 O15379 5/20 0.44
▸ HDAC4 P56524 5/20 0.44
▸ HDAC1 Q13547 5/20 0.44
▸ HDAC7 Q8WUI4 5/20 0.44
▸ HDAC2 Q92769 5/20 0.44
▸ HDAC10 Q969S8 5/20 0.44
▸ HDAC11 Q96DB2 5/20 0.44
▸ HDAC8 Q9BY41 5/20 0.44
▸ HDAC6 Q9UBN7 5/20 0.44
▸ HDAC9 Q9UKV0 5/20 0.44
▸ HDAC5 Q9UQL6 5/20 0.44
▸ CCND3 P30281 3/20 0.44
▸ CDK6 Q00534 3/20 0.44
▸ CDK1 P06493 4/20 0.43
▸ CDK4 P11802 4/20 0.43
▸ CCNB1 P14635 4/20 0.43
▸ CCND1 P24385 4/20 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
SCHEMBL2669487 0.88 HDAC1 (0.47) CCNE1CDK2CCNE2HDAC3HDAC4
SCHEMBL2669345 0.86 HDAC1 (0.47) CCNE1CDK2CCNE2HDAC3HDAC4
SCHEMBL2668616 0.84 HDAC1 (0.48) CCNE1CDK2CCNE2HDAC3HDAC4
SCHEMBL2668480 0.82 HDAC3 (0.49) CCNE1CDK2CCNE2HDAC3HDAC4
SCHEMBL9071934 0.80 MAPK10 (0.54) CCNE1CDK2CCNE2HDAC3HDAC4
SCHEMBL9071951 0.79 KMT2A (0.50) CCNE1CDK2CCNE2HDAC3HDAC4
SCHEMBL2668621 0.79 GLS (0.46) CCNE1CDK2CCNE2HDAC3HDAC4
SCHEMBL2668622 0.78 CCNE1 (0.43) CCNE1CDK2CCNE2HDAC3HDAC4
SCHEMBL2668627 0.77 MAOB (0.46) CCNE1CDK2CCNE2HDAC3HDAC4
SCHEMBL2668566 0.76 CCNE1 (0.44) CCNE1CDK2CCNE2HDAC3HDAC4

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-2007006814-A1 UREA GLUCOKINASE ACTIVATORS NOVO NORDISK A/S (DK) 2007-01-18 — — WO disclosed
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