SCHEMBL7501617

SCHEMBL7501617

COC(=O)Oc1ccc2c(c1C)SCCC2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.40
HTT P42858 3/20 0.40
ALDH1A1 P00352 4/20 0.38
HPGD P15428 2/20 0.34
HSD17B10 Q99714 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
GLA P06280 1/20 0.33
RECQL P46063 1/20 0.33
JAK2 O60674 1/20 0.33
GAA P10253 1/20 0.33
POLB P06746 2/20 0.32
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
VHL P40337 1/20 0.31
ELOC Q15369 1/20 0.31
ELOB Q15370 1/20 0.31
CUL4A Q13619 2/20 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
SCHEMBL7813372 0.86 KDM4E (0.38) KDM4EHTTALDH1A1HPGDPOLB
SCHEMBL7804185 0.86 KDM4E (0.36) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL7804276 0.80 KDM4E (0.33) KDM4EHTTALDH1A1
SCHEMBL5956828 0.78 KDM4E (0.41) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL6970278 0.77 KDM4E (0.37) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL5228012 0.75 CUL4A (0.37) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL7997428 0.73 KDM4E (0.38) KDM4EHTTALDH1A1MAPTSMN1; SMN2
SCHEMBL7809913 0.72 KDM4E (0.33) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL6980246 0.72 RARA (0.36) KDM4EHTTALDH1A1HPGDHSD17B10
SCHEMBL7496062 0.71

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1181297-A1 CYCLOHEXENONE DIOXOTHIOCHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2002-02-27 EP disclosed
EP-0961774-B1 PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES BASF AG (DE) 2001-12-12 EP disclosed
WO-2000068233-A1 CYCLOHEXENONE DIOXOTHIOCHROMANOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2000-11-16 WO disclosed
EP-0961774-A1 PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1999-12-08 EP disclosed
EP-0847394-A1 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1998-06-17 EP disclosed
WO-1997019076-A1 ISOXAZOLE-4-YL-BENZOYL DERIVATIVES AND THE USE THEREOF AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-05-29 WO disclosed
WO-1997019071-A1 2-CYANO-1,3-DIONE DERIVATIVES, THE PRODUCTION OF SAME AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-05-29 WO disclosed
WO-1997009324-A1 2-CYCLOHEXANE-1,3-DIONE BENZOYL DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed
WO-1997009327-A1 PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-03-13 WO disclosed