SCHEMBL23730146

SCHEMBL23730146

Cc1c(C(=O)O)ccc2c1c(=O)n(C1CCCC1)c(=O)n2C

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.47
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43
GAA P10253 1/20 0.43
HPGD P15428 1/20 0.43
HSD17B10 Q99714 1/20 0.43
L3MBTL1 Q9Y468 2/20 0.39
CRHBP P24387 1/20 0.39
CRHR2 Q13324 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
PIK3CA P42336 11/20 0.38
PRKDC P78527 10/20 0.38
MTOR P42345 5/20 0.38
NOTUM Q6P988 1/20 0.37

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
SCHEMBL21468866 0.82 PIK3CD (0.44) ALDH1A1KDM4EHPGDHSD17B10PIK3CA
SCHEMBL23729702 0.82 HPD (0.43) HPDALDH1A1KDM4EL3MBTL1CRHBP
SCHEMBL23730144 0.81 HPD (0.44) HPDALDH1A1KDM4EHSD17B10CRHBP
SCHEMBL23729671 0.81 HPD (0.42) HPDALDH1A1KDM4EL3MBTL1CRHBP
SCHEMBL23729675 0.79 HPD (0.41) HPDALDH1A1KDM4EL3MBTL1CRHBP
SCHEMBL23730136 0.79 HPD (0.41) HPDALDH1A1KDM4EL3MBTL1CRHBP
SCHEMBL23729674 0.79 HPD (0.41) HPDALDH1A1KDM4EL3MBTL1CRHBP
SCHEMBL23729677 0.78 HPD (0.40) HPDCRHBPCRHR2RXFP1PIK3CA
SCHEMBL23729700 0.78 HPD (0.40) HPDALDH1A1HPGDPIK3CAPRKDC
SCHEMBL23730148 0.78 PRKDC (0.48) HPDALDH1A1KDM4EHSD17B10CRHBP

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
EP-3858818-A1 TRIKETONE COMPOUND, PREPARATION METHOD THEREFOR AND USE THEREOF, AND HERBICIDE Shandong Cynda Chemical Co., LTD. (CN) 2021-08-04 EP disclosed