SCHEMBL6935101

SCHEMBL6935101

COC(=O)Cc1ccccc1Sc1ccc(OCCCCl)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 5/20 0.53
MMP9 P14780 5/20 0.53
MMP12 P39900 5/20 0.53
MMP14 P50281 1/20 0.53
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
POLB P06746 1/20 0.45
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
HPGD P15428 1/20 0.44
PPARD Q03181 1/20 0.43
MTNR1A P48039 1/20 0.42
MTNR1B P49286 1/20 0.42
SLC6A9 P48067 1/20 0.39
ALDH1A1 P00352 2/20 0.39
BLM P54132 2/20 0.39
LMNA P02545 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
NOD2 Q9HC29 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL6935218 0.88 MMP2 (0.43) MMP2MMP9MMP12MMP14MEN1
SCHEMBL6932450 0.80 MMP2 (0.54) MMP2MMP9MMP12MMP14MEN1
SCHEMBL8228138 0.75 MMP2 (0.59) MMP2MMP9MMP12MMP14MEN1
SCHEMBL6936595 0.75 CHRM2 (0.47) MMP2MMP9MMP12MMP14KMT2A
SCHEMBL9360605 0.75 MMP2 (0.49) MMP2MMP9MMP12MMP14MEN1
SCHEMBL9151160 0.74 MMP2 (0.54) MMP2MMP9MMP12MMP14MEN1
SCHEMBL3713107 0.74 ALDH1A1 (0.57) MEN1KMT2AALDH1A1LMNASMN1; SMN2
SCHEMBL6929207 0.73 MMP2 (0.67) MMP2MMP9MMP12MMP14MEN1
SCHEMBL6935290 0.73 SMN1; SMN2 (0.60) MMP2MMP9MMP12MMP14CYP2C9
SCHEMBL9148637 0.72 MMP2 (0.49) 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