SCHEMBL7813372

SCHEMBL7813372

Cc1c(OC(=O)O)ccc2c1SCCC2=O

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.38
HTT P42858 1/20 0.38
ALDH1A1 P00352 2/20 0.37
VHL P40337 1/20 0.32
ELOC Q15369 1/20 0.32
ELOB Q15370 1/20 0.32
HPGD P15428 1/20 0.32
GBA1 P04062 1/20 0.31
MEN1 O00255 1/20 0.31
NPC1 O15118 1/20 0.31
POLB P06746 1/20 0.31
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7501617 0.86 KDM4E (0.40) KDM4EHTTALDH1A1VHLELOC
SCHEMBL7496062 0.84
SCHEMBL7816914 0.80 MEN1 (0.31) MEN1KMT2A
SCHEMBL7804276 0.80 KDM4E (0.33) KDM4EHTTALDH1A1
SCHEMBL7997428 0.78 KDM4E (0.38) KDM4EHTTALDH1A1VHLELOC
SCHEMBL6977102 0.76 MCL1 (0.31)
SCHEMBL5956828 0.74 KDM4E (0.41) KDM4EHTTALDH1A1HPGDPOLB
SCHEMBL7841597 0.73 KDM4E (0.33) KDM4EALDH1A1
SCHEMBL7489687 0.71 VHL (0.32) KDM4EVHLELOCELOB
SCHEMBL8310451 0.71 TDP2 (0.33) MEN1NPC1POLBRAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0961774-B1 PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES BASF AG (DE) 2001-12-12 EP 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-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-1997019076-A1 ISOXAZOLE-4-YL-BENZOYL DERIVATIVES AND THE USE THEREOF 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