SCHEMBL23729702

SCHEMBL23729702

Cc1c(C(=O)C2=C(O)CCCC2=O)ccc2c1c(=O)n(C1CCCC1)c(=O)n2C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HPD P32754 3/20 0.43
PIK3CA P42336 14/20 0.35
PRKDC P78527 13/20 0.35
MTOR P42345 7/20 0.35
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PIK3CD O00329 1/20 0.32
CSF1R P07333 1/20 0.32
PIK3CB P42338 1/20 0.32
MAPK9 P45984 1/20 0.32
PIK3CG P48736 1/20 0.32
MAPK10 P53779 1/20 0.32
ATM Q13315 1/20 0.32

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
SCHEMBL23729671 0.90 HPD (0.42) HPDPIK3CAPRKDCMTORCRHBP
SCHEMBL23730136 0.88 HPD (0.41) HPDPIK3CAPRKDCMTORCRHBP
SCHEMBL23729675 0.88 HPD (0.41) HPDPIK3CAPRKDCMTORCRHBP
SCHEMBL23729700 0.87 HPD (0.40) HPDPIK3CAPRKDCMTORALDH1A1
SCHEMBL23729852 0.86 HPD (0.40) HPDPIK3CAPRKDCMTORCRHBP
SCHEMBL23729677 0.85 HPD (0.40) HPDPIK3CAPRKDCMTORCRHBP
SCHEMBL23729853 0.84 HPD (0.38) HPDPIK3CAPRKDCMTORCRHBP
SCHEMBL23730146 0.82 HPD (0.47) HPDPIK3CAPRKDCMTORCRHBP
SCHEMBL23729701 0.80 HPD (0.39) HPD
SCHEMBL29444249 0.80 RXFP1 (0.37) RXFP1ALDH1A1

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