SCHEMBL6931980

SCHEMBL6931980

COc1ccc(Sc2ccccc2CCl)cc1

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.66
POLB P06746 1/20 0.66
KMT2A Q03164 1/20 0.66
MMP2 P08253 6/20 0.59
MMP9 P14780 6/20 0.59
MMP12 P39900 6/20 0.59
MMP14 P50281 1/20 0.56
HTR1A P08908 1/20 0.49
HTR3A P46098 1/20 0.49
SLC6A4 P31645 4/20 0.46
SLC6A2 P23975 3/20 0.44
SLC6A3 Q01959 3/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
DHFR P00374 1/20 0.43
SLC6A9 P48067 1/20 0.42
PTGIR P43119 2/20 0.42
IDO1 P14902 1/20 0.40

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
SCHEMBL8228021 0.95 MEN1 (0.61) MEN1POLBKMT2AMMP2MMP9
SCHEMBL4808474 0.83 MEN1 (0.66) MEN1POLBKMT2AMMP2MMP9
SCHEMBL6935793 0.83 HTR1A (0.52) MEN1POLBKMT2AMMP2MMP9
SCHEMBL30548759 0.82 MEN1 (0.62) MEN1POLBKMT2AMMP2MMP9
SCHEMBL8231456 0.81 MMP2 (0.72) MEN1POLBKMT2AMMP2MMP9
SCHEMBL14712740 0.81 MEN1 (0.67) MEN1POLBKMT2AMMP2MMP9
SCHEMBL6937792 0.80 MEN1 (0.65) MEN1POLBKMT2AMMP2MMP9
SCHEMBL8230220 0.80 MEN1 (0.61) MEN1POLBKMT2AMMP2MMP9
SCHEMBL11705626 0.79 SLC6A4 (0.65) MEN1POLBKMT2AHTR1AHTR3A
SCHEMBL315440 0.78 MMP2 (0.92) MEN1POLBKMT2AMMP2MMP9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1086079-B1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA A S (CZ) 2003-05-07 EP disclosed
US-6303612-B1 USED AS ANTIINFLAMMATORY AND/OR ANTIASTHMATIC AGENTS LECIVA, A.S. (CZ) 2001-10-16 US disclosed
EP-1086079-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS Leciva, A.S. (CZ) 2001-03-28 EP disclosed
WO-1999067208-A1 DERIVATIVES OF HYDROXYPHENYLSULFANYLBENZOIC AND HYDROXYPHENYLSULFANYLARYLACETIC ACIDS LECIVA, A.S. (CZ) 1999-12-29 WO disclosed