SCHEMBL7397471

SCHEMBL7397471

O=C(O)[C@@H](O)CSc1ccsc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.37
FYN P06241 1/20 0.37
DAO P14920 1/20 0.37
SLC1A3 P43003 2/20 0.36
SLC1A2 P43004 2/20 0.36
SLC1A1 P43005 2/20 0.36
CES2 O00748 1/20 0.34
CES1 P23141 1/20 0.34
MME P08473 3/20 0.32
MTNR1A P48039 3/20 0.32
MTNR1B P49286 3/20 0.32
MMP2 P08253 3/20 0.31
MMP3 P08254 3/20 0.31
MMP9 P14780 3/20 0.31
MMP13 P45452 2/20 0.31
MMP1 P03956 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31
MMP8 P22894 1/20 0.31
KDM6B O15054 1/20 0.31

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
SCHEMBL7397475 1.00 LCK (0.37) LCKFYNDAOSLC1A3SLC1A2
SCHEMBL7391939 0.76 FFAR1 (0.52) MTNR1AMTNR1BMMP2MMP3MMP9
SCHEMBL7391935 0.76 FFAR1 (0.52) MTNR1AMTNR1BMMP2MMP3MMP9
SCHEMBL7218149 0.74 FFAR1 (0.55) LCKFYNDAOCES2CES1
SCHEMBL12276603 0.71 ALDH1A1 (0.46) LCKFYNDAOCES2CES1
SCHEMBL11437310 0.70 MMP2 (0.50) MMEMTNR1AMTNR1BMMP2MMP3
SCHEMBL7393328 0.70 MME (0.39) SLC1A3SLC1A2SLC1A1MMEPTGS1
SCHEMBL9240332 0.70 MME (0.39) SLC1A3SLC1A2SLC1A1MMEPTGS1
SCHEMBL2683009 0.69 MME (0.49) LCKFYNDAOSLC1A3SLC1A2
SCHEMBL10170676 0.69 MME (0.49) LCKFYNDAOSLC1A3SLC1A2

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-0535042-B1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1995-03-29 EP disclosed
US-5348978-A Angiotensin converting enzyme inhibitors FISONS PLC (GB) 1994-09-20 US disclosed
EP-0535042-A1 ANGIOTENSIS CONVERTING ENZYME INHIBITORS. FISONS PLC (GB) 1993-04-07 EP disclosed
WO-1992000276-A2 ANGIOTENSIS CONVERTING ENZYME INHIBITORS FISONS PLC (GB) 1992-01-09 WO disclosed