SCHEMBL9309340

SCHEMBL9309340

CC(C)C(C)(NC(=O)c1cc2c(cc1C(=O)O)COCC2)C(N)=O

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
CNR2 P34972 2/20 0.33
HPGD P15428 1/20 0.31
HTT P42858 1/20 0.31
HSD17B10 Q99714 1/20 0.31
P2RX3 P56373 1/20 0.30

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
SCHEMBL9308980 1.00 KDM4E (0.35) KDM4EALDH1A1CNR2HPGDHTT
SCHEMBL9309995 0.76 HTT (0.38) KDM4EALDH1A1CNR2HPGDHTT
SCHEMBL10679364 0.73 CSNK2A1 (0.41) KDM4EALDH1A1CNR2
SCHEMBL10674816 0.73 SORT1 (0.43) KDM4EALDH1A1CNR2
SCHEMBL10674576 0.72 ALDH1A1 (0.44) KDM4EALDH1A1HTT
SCHEMBL9308990 0.69 HTT (0.33) KDM4EALDH1A1HPGDHTTHSD17B10
SCHEMBL8953179 0.68 KDM4E (0.41) KDM4EALDH1A1CNR2
SCHEMBL10674834 0.68 GRM1 (0.44) KDM4EALDH1A1CNR2HSD17B10
SCHEMBL8548924 0.66 CNR2 (0.36) KDM4EALDH1A1CNR2
SCHEMBL9490953 0.65 ALDH1A1 (0.39) KDM4EALDH1A1CNR2HPGD

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
US-5283335-A Controlling (mono or di)cotyledenous plants AMERICAN CYANAMID COMPANY (US) 1994-02-01 US disclosed