SCHEMBL7809696

SCHEMBL7809696

CCOC1CCSc2c1ccc(C(=O)O)c2C

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.32
NOTUM Q6P988 1/20 0.31
PKM P14618 1/20 0.31
BRD4 O60885 1/20 0.30
TSHR P16473 1/20 0.30
CYP19A1 P11511 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
SCHEMBL7994474 0.88 PTGER4 (0.39) CNR2TSHR
SCHEMBL7813391 0.85 TSHR (0.34) NOTUMTSHR
SCHEMBL7811072 0.82 ALDH1A1 (0.33)
SCHEMBL27504228 0.78 TSHR (0.33) NOTUMTSHR
SCHEMBL7811188 0.76 GAA (0.33) CNR2
SCHEMBL8307790 0.76
SCHEMBL7993975 0.71 CNR2 (0.30) CNR2
SCHEMBL5956523 0.70 GAA (0.36)
SCHEMBL5956517 0.70 GAA (0.36)
SCHEMBL8304936 0.67 MEN1 (0.32) TSHR

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-0961774-B1 PYRAZOL-4-YL-BENZOYL DERIVATIVES AND THEIR USE AS HERBICIDES BASF AG (DE) 2001-12-12 EP disclosed
US-6291682-B1 FOR CONTROLLING WEEDS BASF AKTIENGESELLSCHAFT (DE) 2001-09-18 US disclosed
US-6054414-A HERBICIDE BASF AKTIENGESELLSCHAFT (DE) 2000-04-25 US 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