SCHEMBL7046401

SCHEMBL7046401

O=C(O)CSc1ccc(-c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.76
ALDH1A1 P00352 2/20 0.60
GAA P10253 2/20 0.53
MMP12 P39900 1/20 0.53
MMP13 P45452 1/20 0.53
GRK6 P43250 1/20 0.53
CTSB P07858 1/20 0.51
ELANE P08246 1/20 0.51
DUSP3 P51452 1/20 0.51
HSD17B10 Q99714 1/20 0.51
HTT P42858 2/20 0.50
ABCC4 O15439 1/20 0.50
LMNA P02545 1/20 0.50
TSHR P16473 1/20 0.50
PTGS1 P23219 1/20 0.50
APEX1 P27695 1/20 0.50
PKM P14618 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
CXCL12 P48061 1/20 0.49
CYP1A2 P05177 1/20 0.48

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
SCHEMBL74365 0.87 FFAR1 (1.00) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL15572345 0.85 FFAR1 (0.95) FFAR1ALDH1A1GAACTSBELANE
Ammonia Solution, Strong SCHEMBL6255246 0.85 FFAR1 (0.95) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL15571433 0.85 FFAR1 (0.95) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL15570635 0.85 FFAR1 (0.95) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL15571405 0.85 FFAR1 (0.95) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL941141 0.84 FFAR1 (0.53) FFAR1ALDH1A1GAAHTTLMNA
SCHEMBL9558638 0.83 FFAR1 (0.83) FFAR1ALDH1A1GAACTSBELANE
SCHEMBL28981219 0.82 RAB9A (0.59) FFAR1ALDH1A1LMNATSHRCYP1A2
SCHEMBL1510256 0.82 FFAR1 (0.57) FFAR1ALDH1A1GAAMMP12MMP13

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116924906-A Novel long-acting FFA1 agonist, preparation method thereof and application thereof as medicine 广东药科大学 2023-10-24 CN disclosed
US-20090246700-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-20090246700-A1 PLATE-MAKING METHOD OF LITHOGRAPHIC PRINTING PLATE PRECURSOR FUJIFILM CORPORATION (JP) 2009-10-01 US disclosed
US-6583133-B1 Especially against Gram-positive organisms, e.g. methicillin-sensitive (MSSA) and methicillin- resistant (MRSA) staphylococci, enterococci and pneumococci BASILEA PHARMACEUTICA AG (CH) 2003-06-24 US disclosed
EP-0874808-B1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LAB (US) 2003-04-09 EP disclosed
EP-1090013-A1 PROPENYL CEPHALOSPORIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2001-04-11 EP disclosed
WO-1999067255-A1 PROPENYL CEPHALOSPORIN DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 1999-12-29 WO disclosed
EP-0874808-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES Abbott Laboratories (US) 1998-11-04 EP disclosed
US-5665777-A ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1997-09-09 US disclosed
WO-1997018188-A1 BIPHENYL HYDROXAMATE INHIBITORS OF MATRIX METALLOPROTEINASES ABBOTT LABORATORIES (US) 1997-05-22 WO disclosed