SCHEMBL6935218

SCHEMBL6935218

COC(=O)Cc1ccccc1Sc1cccc(OCCCCl)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 4/20 0.43
MMP9 P14780 4/20 0.43
MMP12 P39900 4/20 0.43
MMP14 P50281 1/20 0.43
MTNR1A P48039 2/20 0.43
MTNR1B P49286 2/20 0.43
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
NPC1 O15118 1/20 0.40
SMN1; SMN2 Q16637 4/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.40
GAA P10253 2/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
ALDH1A1 P00352 2/20 0.37
BLM P54132 1/20 0.37
CYP2C9 P11712 1/20 0.37
HPGD P15428 1/20 0.37
CYP2C19 P33261 1/20 0.37

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
SCHEMBL6935101 0.88 MMP2 (0.53) MMP2MMP9MMP12MMP14MTNR1A
SCHEMBL9151160 0.85 MMP2 (0.54) MMP2MMP9MMP12MMP14MTNR1A
SCHEMBL9148637 0.83 MMP2 (0.49) MMP2MMP9MMP12MMP14MEN1
SCHEMBL6937194 0.82 HSD17B10 (0.44) MEN1KMT2ANPC1SMN1; SMN2GAA
SCHEMBL6935290 0.79 SMN1; SMN2 (0.60) MMP2MMP9MMP12MMP14SMN1; SMN2
SCHEMBL2767522 0.76 SLC7A5 (0.48) MTNR1AMTNR1BSMN1; SMN2GAAALDH1A1
SCHEMBL9360605 0.76 MMP2 (0.49) MMP2MMP9MMP12MMP14MTNR1A
SCHEMBL6934381 0.75 MAPT (0.51) MTNR1AMTNR1BNPC1SMN1; SMN2ALDH1A1
SCHEMBL6932107 0.74 MMP2 (0.70) MMP2MMP9MMP12MMP14MTNR1A
SCHEMBL6932450 0.73 MMP2 (0.54) MMP2MMP9MMP12MMP14MEN1

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