SCHEMBL29033346

SCHEMBL29033346

CCCCNc1ccc(C(=O)O)c(C)c1C

nearest known ligand 0.57

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM6B O15054 2/20 0.57
KDM4C Q9H3R0 2/20 0.57
HCAR3 P49019 3/20 0.49
CISD1 Q9NZ45 7/20 0.47
PLK1 P53350 4/20 0.45
CYP2C9 P11712 1/20 0.44
HPGD P15428 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
MAPK8 P45983 1/20 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
SCHEMBL27736211 0.95 KDM6B (0.52) KDM6BKDM4CHCAR3CISD1PLK1
SCHEMBL27756887 0.94 PLK1 (0.52) KDM6BKDM4CHCAR3CISD1PLK1
SCHEMBL28114974 0.84 KDM6B (0.49) KDM6BKDM4CHCAR3CISD1PLK1
SCHEMBL9690904 0.84 KDM6B (0.46) KDM6BKDM4CHCAR3CYP2C9
SCHEMBL23748664 0.83 CNR2 (0.50) KDM6BKDM4CCISD1PLK1CYP2C9
SCHEMBL3135874 0.82 KDM4E (0.49) KDM6BKDM4CHCAR3PLK1CYP2C9
SCHEMBL11247334 0.82 PLK1 (0.51) KDM6BKDM4CHCAR3CISD1PLK1
Hexane SCHEMBL28000698 0.82 PPARA (0.51) PLK1CA12CA9
SCHEMBL5136114 0.81 PLK1 (0.51) KDM6BKDM4CCISD1PLK1CYP2C9
SCHEMBL9824061 0.81 PLK1 (0.64) KDM6BKDM4CHCAR3CISD1PLK1

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
CN-112166159-B Photocurable dental impression material based on macromonomers 登士柏希罗纳有限公司 2022-10-21 CN disclosed