SCHEMBL6794038

SCHEMBL6794038

O=C(O)C(COc1ccccc1)CS(=O)(=O)c1ccc(-c2ccc(F)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BCL2L1 Q07817 2/20 0.47
MCL1 Q07820 2/20 0.47
ADAMTS4 O75173 2/20 0.43
MMP2 P08253 7/20 0.43
MMP1 P03956 4/20 0.43
MMP3 P08254 4/20 0.43
MMP13 P45452 4/20 0.43
MME P08473 2/20 0.43
MMP9 P14780 4/20 0.41
MMP14 P50281 3/20 0.41
MMP12 P39900 1/20 0.41
MMP7 P09237 2/20 0.41
MMP8 P22894 1/20 0.41
HSD11B1 P28845 2/20 0.41

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
SCHEMBL6788890 0.88 BCL2L1 (0.49) BCL2L1MCL1MMP2MMP1MMP3
SCHEMBL6788751 0.88 PPARG (0.50) BCL2L1MCL1MMP2MMEMMP9
SCHEMBL6788518 0.85 ALDH1A1 (0.53) ADAMTS4MMP2MMP1MMP3MMP13
SCHEMBL6790714 0.83 ADAMTS4 (0.47) BCL2L1MCL1ADAMTS4MMP2MMP1
SCHEMBL6787277 0.83 ALDH1A1 (0.46) ADAMTS4MMP2MMP1MMP3MMP13
SCHEMBL6794468 0.78 MMP2 (0.47) BCL2L1MMP2MMP1MMP3MMP13
SCHEMBL6784814 0.77 PRMT1 (0.52) MMP2MMP3MMP13MMP9
SCHEMBL6783348 0.76 BCL2L1 (0.49) BCL2L1MCL1MMP2MMP1MMP3
SCHEMBL7555789 0.75 MMP3 (0.55) ADAMTS4MMP2MMP1MMP3MMP13
SCHEMBL6783697 0.75 CYP1A2 (0.45) BCL2L1MCL1MMP2MMP1MMP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6765003-B1 ANTICARCINOGENIC, ANTITUMOR, AND ANTIMETASTASIS AGENTS; RHEUMATOID ARTHRITIS, OSTEOARTHRITIS, OSTEOPOROSIS, MULTIPLE SCLEROSIS, STROKE, ARTERIOSCLEROSIS, PHARMACIA ITALIA, SPA (IT) 2004-07-20 US disclosed