SCHEMBL7464641

SCHEMBL7464641

CCCOC(=O)c1cccc(OC)c1.O=S(=O)(O)Cl

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.61
MEN1 O00255 1/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ELANE P08246 1/20 0.56
NPSR1 Q6W5P4 1/20 0.54
LMNA P02545 1/20 0.53
POLB P06746 2/20 0.50
CES2 O00748 1/20 0.50
CES1 P23141 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 2/20 0.48
ESR1 P03372 1/20 0.48
ESR2 Q92731 1/20 0.48
PARP1 P09874 1/20 0.48
CASP3 P42574 1/20 0.47
SENP8 Q96LD8 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.47
TAS1R1 Q7RTX1 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
SCHEMBL11505600 0.92 SMN1; SMN2 (0.70) KMT2AMEN1SMN1; SMN2ELANENPSR1
SCHEMBL7475996 0.89 SMN1; SMN2 (0.56) KMT2AMEN1SMN1; SMN2ELANENPSR1
SCHEMBL7468451 0.86 ALDH1A1 (0.51) KMT2AMEN1SMN1; SMN2ELANELMNA
SCHEMBL7468645 0.86 TDP1 (0.52) KMT2AMEN1SMN1; SMN2ELANENPSR1
SCHEMBL7471813 0.85 LMNA (0.57) LMNAPOLBKDM4EALDH1A1ESR1
SCHEMBL7464858 0.83 LMNA (0.55) KMT2ALMNAPOLBKDM4EALDH1A1
SCHEMBL7465769 0.83 LMNA (0.59) KMT2AMEN1NPSR1LMNAPOLB
SCHEMBL7530948 0.83 LMNA (0.55) ELANELMNAPOLBKDM4EALDH1A1
SCHEMBL4450097 0.83 SMN1; SMN2 (0.67) KMT2AMEN1SMN1; SMN2NPSR1LMNA
Methyl 3-Methoxybenzoate SCHEMBL7469145 0.83 SMN1; SMN2 (0.62) KMT2AMEN1SMN1; SMN2ELANENPSR1

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