SCHEMBL2668622

SCHEMBL2668622

C=C(CCCCc1ccc(OC(C)C)cc1)Nc1ncc(SCC(=O)O)s1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNE1 P24864 7/20 0.43
▸ CDK2 P24941 7/20 0.43
▸ CCNE2 O96020 6/20 0.43
▸ CCNB2 O95067 4/20 0.41
▸ CDK1 P06493 4/20 0.41
▸ CDK4 P11802 4/20 0.41
▸ CCNB1 P14635 4/20 0.41
▸ CCND1 P24385 4/20 0.41
▸ CCNB3 Q8WWL7 4/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ HDAC3 O15379 3/20 0.40
▸ HDAC4 P56524 3/20 0.40
▸ HDAC1 Q13547 3/20 0.40
▸ HDAC7 Q8WUI4 3/20 0.40
▸ HDAC2 Q92769 3/20 0.40
▸ HDAC10 Q969S8 3/20 0.40
▸ HDAC11 Q96DB2 3/20 0.40
▸ HDAC8 Q9BY41 3/20 0.40
▸ HDAC6 Q9UBN7 3/20 0.40
▸ HDAC9 Q9UKV0 3/20 0.40

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
SCHEMBL2668566 0.89 CCNE1 (0.44) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL9071910 0.78 CCNE1 (0.47) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL1238496 0.75 CCNE2 (0.39) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL2669345 0.74 HDAC1 (0.47) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL2669487 0.74 HDAC1 (0.47) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL1262260 0.74 GCK (0.47) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL2668616 0.72 HDAC1 (0.48) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL1240689 0.71 — —
SCHEMBL9071951 0.70 KMT2A (0.50) CCNE1CDK2CCNE2CCNB2CDK1
SCHEMBL2668480 0.70 HDAC3 (0.49) CCNE1CDK2CCNE2CCNB2CDK1

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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