SCHEMBL28345793

SCHEMBL28345793

COC(=O)C(Cc1ccccc1)NC(=O)C(CC(C)C)Nc1cnccn1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSMB5 P28074 9/20 0.69
ALDH1A1 P00352 1/20 0.53
THRB P10828 1/20 0.53
CYP2C9 P11712 1/20 0.53
CYP2C19 P33261 1/20 0.53
HSD17B10 Q99714 1/20 0.53
PSMB1 P20618 7/20 0.52
PSMB2 P49721 7/20 0.52
PSMB11 A5LHX3 6/20 0.52
PSMA7 O14818 6/20 0.52
PSMA1 P25786 6/20 0.52
PSMA2 P25787 6/20 0.52
PSMA3 P25788 6/20 0.52
PSMA4 P25789 6/20 0.52
PSMB8 P28062 6/20 0.52
PSMB9 P28065 6/20 0.52
PSMA5 P28066 6/20 0.52
PSMB4 P28070 6/20 0.52
PSMB6 P28072 6/20 0.52
PSMB10 P40306 6/20 0.52

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
SCHEMBL28345790 1.00 PSMB5 (0.69) PSMB5ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL28345993 0.88 PSMB5 (0.53) PSMB5ALDH1A1PSMB1PSMB2PSMB11
SCHEMBL28345997 0.88 PSMB5 (0.53) PSMB5ALDH1A1PSMB1PSMB2PSMB11
SCHEMBL28349239 0.87 PSMB5 (0.60) PSMB5ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL28349240 0.87 PSMB5 (0.60) PSMB5ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL28345825 0.86 PSMB5 (0.56) PSMB5ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL28345824 0.86 PSMB5 (0.56) PSMB5ALDH1A1THRBCYP2C9CYP2C19
SCHEMBL2127966 0.85 PSMB5 (0.69) PSMB5PSMB1PSMB2PSMB11PSMA7
SCHEMBL1913564 0.83 PSMB5 (0.72) PSMB5PSMB1PSMB2PSMB11PSMA7
SCHEMBL2128457 0.83 PSMB5 (0.72) PSMB5PSMB1PSMB2PSMB11PSMA7

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-108929340-B Proline boric acid compound and preparation method and application thereof 北京大学 2019-12-13 CN disclosed