SCHEMBL6823364

SCHEMBL6823364

COc1ccc([S+]([O-])C(COCc2ccccc2)CC(=O)O)cc1

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 1/20 0.50
MMP3 P08254 1/20 0.50
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
KMT2A Q03164 1/20 0.43
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
FFAR1 O14842 8/20 0.41
TBXAS1 P24557 1/20 0.41
PPARG P37231 1/20 0.40
PPARA Q07869 1/20 0.40
MAOB P27338 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6825089 0.87 MMP2 (0.45) MMP2MMP3MEN1ALDH1A1KMT2A
SCHEMBL7303121 0.74 MMP2 (0.60) MMP2MMP3PPARGPPARA
SCHEMBL7441379 0.73 MMP1 (0.46) MMP2MMP3
SCHEMBL4433522 0.72 SLC1A1 (0.49) ALDH1A1KMT2ANPC1CA1CA2
SCHEMBL4433529 0.72 SLC1A1 (0.49) ALDH1A1KMT2ANPC1CA1CA2
SCHEMBL8203704 0.70 MMP3 (0.63) MMP2MMP3ALDH1A1
SCHEMBL288960 0.69 SLC1A1 (0.56) MEN1KMT2ACA1CA2
SCHEMBL29478374 0.69 SLC1A1 (0.56) MEN1KMT2ACA1CA2
SCHEMBL5845223 0.69 SLC1A1 (0.56) MEN1KMT2ACA1CA2
SCHEMBL2462322 0.68 FPR2 (0.45) ALDH1A1KMT2ARAB9APPARGPPARA

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-0871439-B1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2004-03-31 EP disclosed
EP-0871439-A4 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-07-21 EP disclosed
EP-0871439-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-10-21 EP disclosed
WO-1997024117-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 WO disclosed