SCHEMBL14602256

SCHEMBL14602256

O=C(O)[C@@H](NS(=O)(=O)c1ccc(Oc2ccccc2)cc1)[C@@H](O)c1ccc2c(c1)OCO2

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MMP9 P14780 5/20 0.58
▸ ADAMTS4 O75173 4/20 0.55
▸ MMP2 P08253 8/20 0.50
▸ MMP13 P45452 7/20 0.50
▸ MMP3 P08254 6/20 0.50
▸ MMP1 P03956 5/20 0.50
▸ MMP7 P09237 3/20 0.50
▸ MEN1 O00255 1/20 0.48
▸ KMT2A Q03164 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
▸ ALDH1A1 P00352 2/20 0.46
▸ HTT P42858 1/20 0.45
▸ HPGD P15428 1/20 0.42
▸ MMP8 P22894 1/20 0.42

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
SCHEMBL2846313 0.79 ADRB3 (0.47) ADAMTS4MMP2MMP13MMP1MEN1
SCHEMBL8873505 0.75 MEN1 (0.56) MEN1KMT2AALDH1A1
SCHEMBL8873509 0.75 MEN1 (0.56) MEN1KMT2AALDH1A1
SCHEMBL14602231 0.74 MMP9 (0.82) MMP9ADAMTS4MMP2MMP13MMP3
SCHEMBL19627057 0.72 PTGS1 (0.49) MEN1KMT2AALDH1A1HPGD
SCHEMBL10346803 0.72 NPC1 (0.53) ALDH1A1HPGD
SCHEMBL19614361 0.72 RAB9A (0.55) MEN1KMT2AALDH1A1HPGD
SCHEMBL19614362 0.72 RAB9A (0.55) MEN1KMT2AALDH1A1HPGD
SCHEMBL2842038 0.72 CASP3 (0.57) ADAMTS4MMP2MMP13MMP1MEN1
SCHEMBL2838360 0.71 TP53 (0.47) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160903-B2 Sulfonylaminocarboxylic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-09 — — US disclosed
US-7160903-B2 Sulfonylaminocarboxylic acids SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2007-01-09 — — US disclosed
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