SCHEMBL2668480

SCHEMBL2668480

CC(C)CCCCC(=O)Nc1ncc(SCC(=O)O)s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HDAC3 O15379 3/20 0.49
▸ CCND3 P30281 3/20 0.49
▸ HDAC4 P56524 3/20 0.49
▸ CDK6 Q00534 3/20 0.49
▸ HDAC1 Q13547 3/20 0.49
▸ HDAC7 Q8WUI4 3/20 0.49
▸ HDAC2 Q92769 3/20 0.49
▸ HDAC10 Q969S8 3/20 0.49
▸ HDAC11 Q96DB2 3/20 0.49
▸ HDAC8 Q9BY41 3/20 0.49
▸ HDAC6 Q9UBN7 3/20 0.49
▸ HDAC9 Q9UKV0 3/20 0.49
▸ HDAC5 Q9UQL6 3/20 0.49
▸ DEGS1 O15121 1/20 0.46
▸ CCNE1 P24864 9/20 0.45
▸ CDK2 P24941 9/20 0.45
▸ CCNE2 O96020 8/20 0.45
▸ CCNB2 O95067 4/20 0.45
▸ CDK1 P06493 4/20 0.45
▸ CDK4 P11802 4/20 0.45

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
SCHEMBL9071934 0.86 MAPK10 (0.54) HDAC3CCND3HDAC4CDK6HDAC1
SCHEMBL9071910 0.82 CCNE1 (0.47) HDAC3CCND3HDAC4CDK6HDAC1
SCHEMBL1238624 0.79 CCNE1 (0.45) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL2667689 0.77 CCNE1 (0.46) HDAC3CCND3HDAC4CDK6HDAC1
SCHEMBL2669345 0.77 HDAC1 (0.47) HDAC3CCND3HDAC4CDK6HDAC1
SCHEMBL2669487 0.77 HDAC1 (0.47) HDAC3CCND3HDAC4CDK6HDAC1
SCHEMBL2666164 0.77 CCNE1 (0.69) CCND3CCNE1CDK2CCNE2CCNB2
SCHEMBL1241443 0.76 CCNE1 (0.43) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL2668627 0.76 MAOB (0.46) HDAC3CCND3HDAC4CDK6HDAC1
SCHEMBL2668616 0.76 HDAC1 (0.48) HDAC3CCND3HDAC4CDK6HDAC1

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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