SCHEMBL7470758

SCHEMBL7470758

COC(=O)c1cccc(C)c1.O=S(=O)(O)Cl

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR17 Q13304 1/20 0.56
POLB P06746 1/20 0.54
TCF4 P15884 1/20 0.54
CTNNB1 P35222 1/20 0.54
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
F2 P00734 1/20 0.49
PLAU P00749 1/20 0.49
ELANE P08246 1/20 0.49
CA12 O43570 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
CA9 Q16790 1/20 0.49
LOXL2 Q9Y4K0 1/20 0.49
PARP1 P09874 1/20 0.49
TSHR P16473 1/20 0.48
GAA P10253 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP4F2 P78329 1/20 0.47

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
SCHEMBL27429999 0.95 GPR17 (0.57) GPR17POLBTCF4CTNNB1HDAC8
SCHEMBL40429 0.89 GPR17 (0.65) GPR17POLBTCF4CTNNB1HDAC8
SCHEMBL28289702 0.89 GPR17 (0.65) GPR17POLBTCF4CTNNB1HDAC8
SCHEMBL29534771 0.89 GPR17 (0.65) GPR17POLBTCF4CTNNB1HDAC8
SCHEMBL7467547 0.85 POLB (0.55) POLBTCF4CTNNB1CA12CA1
SCHEMBL7467811 0.84 TDP1 (0.52) ELANECA12CA1CA2CA9
SCHEMBL7468235 0.83 ELANE (0.52) HDAC8HDAC6ELANECA12CA1
SCHEMBL7470029 0.82 KMT2A (0.58) POLBHDAC6CA12CA1CA2
Methyl 3-Methoxybenzoate SCHEMBL7469145 0.82 SMN1; SMN2 (0.62) POLBTCF4CTNNB1ELANEPARP1
SCHEMBL7472745 0.82 POLB (0.53) POLBTCF4CTNNB1CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0859774-B1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 2002-04-03 EP disclosed
EP-0859774-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AG (DE) 1998-08-26 EP disclosed
WO-1997016449-A1 SUBSTITUTED SULPHONYLAMINO (THIO)CARBONYL COMPOUNDS AS HERBICIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-05-09 WO disclosed