SCHEMBL9751480

SCHEMBL9751480

CCCC(=O)C1C(=O)CC2(C(=O)OC)CCC2C1=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.38
HSD17B10 Q99714 1/20 0.37
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
ALOX12 P18054 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.30
OPRK1 P41145 2/20 0.30
LMNA P02545 1/20 0.30
OPRM1 P35372 1/20 0.30
OPRD1 P41143 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
SCHEMBL9751435 0.93 GAA (0.37) GAAHSD17B10TSHRKDM4EALDH1A1
SCHEMBL9751429 0.84 GAA (0.39) GAAHSD17B10TSHRKDM4EALDH1A1
SCHEMBL9751369 0.83 KDM4E (0.31) TSHRKDM4EALDH1A1POLBMAPT
SCHEMBL9751420 0.81 GAA (0.36) GAAHSD17B10TSHRKDM4EALDH1A1
SCHEMBL9751419 0.73 ALDH1A1 (0.34) KDM4EALDH1A1
SCHEMBL8793906 0.72 SMN1; SMN2 (0.52) GAAHSD17B10TSHRKDM4EALDH1A1
SCHEMBL9751501 0.68 ALDH1A1 (0.33) KDM4EALDH1A1
SCHEMBL8793705 0.67 GAA (0.51) GAAHSD17B10TSHRKDM4EALDH1A1
SCHEMBL9396153 0.66 ALDH1A1 (0.76) GAAHSD17B10TSHRKDM4EALDH1A1
SCHEMBL10917680 0.66 GAA (0.45) GAAHSD17B10TSHRKDM4EALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0422040-A4 HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES 1991-08-07 EP claimed
EP-0422040-A1 HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES DUNLENA PTY. LIMITED (AU) 1991-04-17 EP claimed
WO-1989012041-A1 HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES DUNLENA PTY. LIMITED (AU) 1989-12-14 WO claimed
EP-0422040-A4 HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES 1991-08-07 EP disclosed
EP-0422040-A1 HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES DUNLENA PTY. LIMITED (AU) 1991-04-17 EP disclosed
WO-1989012041-A1 HERBICIDAL BICYCLIC 1,3-DIKETONE DERIVATIVES DUNLENA PTY. LIMITED (AU) 1989-12-14 WO disclosed