SCHEMBL9751435

SCHEMBL9751435

CCCC(=O)C1C(=O)CC2(C(=O)OC)CCCC2C1=O

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.37
HSD17B10 Q99714 1/20 0.35
ALDH1A1 P00352 2/20 0.35
TSHR P16473 2/20 0.35
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
LMNA P02545 1/20 0.31
ALOX12 P18054 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
SCHEMBL9751480 0.93 GAA (0.38) GAAHSD17B10ALDH1A1TSHRKDM4E
SCHEMBL9751369 0.91 KDM4E (0.31) ALDH1A1TSHRKDM4EPOLBMAPT
SCHEMBL9751419 0.80 ALDH1A1 (0.34) ALDH1A1KDM4E
SCHEMBL9751420 0.80 GAA (0.36) GAAHSD17B10ALDH1A1TSHRKDM4E
SCHEMBL9751429 0.80 GAA (0.39) GAAHSD17B10ALDH1A1TSHRKDM4E
SCHEMBL9751501 0.75 ALDH1A1 (0.33) ALDH1A1KDM4E
SCHEMBL9751376 0.73 HTT (0.33) MAPT
SCHEMBL8793906 0.70 SMN1; SMN2 (0.52) GAAHSD17B10ALDH1A1TSHRKDM4E
SCHEMBL9751417 0.69 ALDH1A1 (0.33) ALDH1A1
SCHEMBL8793705 0.65 GAA (0.51) GAAHSD17B10ALDH1A1TSHRKDM4E

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