SCHEMBL6380461

SCHEMBL6380461

COc1ccc(SCC(CSc2ccc(OC)cc2)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.50
MTNR1B P49286 1/20 0.50
LDHA P00338 1/20 0.50
NPC1 O15118 3/20 0.46
TP53 P04637 1/20 0.46
ALDH1A1 P00352 6/20 0.44
RAB9A P51151 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA4 P22748 1/20 0.44
CA7 P43166 1/20 0.44
CA9 Q16790 1/20 0.44
KIF11 P52732 2/20 0.43
LMNA P02545 1/20 0.43
PPARG P37231 1/20 0.43
PPARA Q07869 1/20 0.43

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
SCHEMBL7074737 0.89 TAS1R3 (0.44) MTNR1AMTNR1BLDHANPC1TP53
SCHEMBL7074193 0.87 PPARG (0.56) LDHAPPARGPPARAMAPTCYP1A2
SCHEMBL7073559 0.85 PDE4B (0.48) MTNR1AMTNR1BLDHANPC1ALDH1A1
SCHEMBL12264723 0.85 MMP2 (0.49) MTNR1AMTNR1BLDHANPC1TP53
SCHEMBL6377276 0.84 PLA2G4B (0.41) MTNR1AMTNR1BLDHANPC1ALDH1A1
SCHEMBL7075493 0.83 ALDH1A1 (0.43) MTNR1AMTNR1BLDHANPC1TP53
SCHEMBL7078743 0.82 GRIK1 (0.48) NPC1ALDH1A1RAB9APPARGPPARA
SCHEMBL7075160 0.82 MTNR1A (0.47) MTNR1AMTNR1BLDHANPC1TP53
SCHEMBL6378034 0.80 HTT (0.51) MTNR1AMTNR1BALDH1A1SMN1; SMN2CA1
SCHEMBL7077459 0.79 MEN1 (0.46) NPC1TP53ALDH1A1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0929519-B1 BETA-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS UPJOHN CO (US) 2005-02-23 EP disclosed
CN-1158254-C 'Beta'-sulfonyl hydroxamic acids as matrix metalloproteinases inhibitors �������Ŷ���Լ��������˾ 2004-07-21 CN disclosed
US-6235928-B1 ENZYME INHIBITOR MATRIX METALLOPROTEINASE FAMILY, INCLUDING COLLAGENASE, STROMELYSIN, AND GELATINASE, THE COMPOUNDS OR PHARMACEUTICAL COMPOSITIONS PHARMACIA & UPJOHN COMPANY 2001-05-22 US disclosed
CN-1230177-A 'Beta'-sulfonyl hydroxamic acids as matrix metalloproteinases inhibitors UPJOHN CO (US) 1999-09-29 CN disclosed
EP-0929519-A1 $g(b)-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1999-07-21 EP disclosed
US-5847153-A β-sulfonyl hydroxamic acids PHARMACIA & UPJOHN COMPANY (US) 1998-12-08 US disclosed
WO-1998013340-A1 β-SULFONYL HYDROXAMIC ACIDS AS MATRIX METALLOPROTEINASES INHIBITORS PHARMACIA & UPJOHN COMPANY (US) 1998-04-02 WO disclosed