SCHEMBL5178772

SCHEMBL5178772

Cc1ccc(CSCCC(O)CC(=O)O)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.48
ALDH1A1 P00352 7/20 0.48
MMP12 P39900 4/20 0.46
MMP13 P45452 4/20 0.46
MMP2 P08253 1/20 0.44
MMP9 P14780 1/20 0.44
MMP14 P50281 1/20 0.44
HPGD P15428 2/20 0.44
POLB P06746 2/20 0.44
RECQL P46063 1/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CYP2C19 P33261 1/20 0.42
RAB9A P51151 1/20 0.42
HTT P42858 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL5180234 0.86 FOLH1 (0.50) ALDH1A1MMP12MMP13MMP2MMP9
SCHEMBL3936974 0.86 CYP2C19 (0.59) LMNAALDH1A1MMP12MMP13MMP2
SCHEMBL1139059 0.79 MMP12 (0.68) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4989028 0.78 MMP12 (0.48) LMNAALDH1A1MMP12MMP13HPGD
SCHEMBL7716565 0.77 CYP2C19 (0.70) LMNAALDH1A1HPGDPOLBRECQL
SCHEMBL19800812 0.77 LMNA (0.49) LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL6051732 0.77 LMNA (0.49) LMNAALDH1A1SMN1; SMN2PKM
SCHEMBL28010005 0.76 MMP12 (0.55) MMP12MMP13MMP2MMP9MMP14
SCHEMBL4084668 0.76 CYP2C19 (0.54) LMNAALDH1A1MMP12MMP13MMP2
SCHEMBL6803856 0.75 KMT2A (0.49) MMP12MMP13MMP2MMP9MMP14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1262508-B1 Novel polyhydroxyalkanoate that comprises unit having substituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KK (JP) 2007-08-08 EP claimed
US-6911521-B2 Polyhydroxyalkanoate has a substituted or unsubstituted (phenylmethyl)sulfanyl structure on side chain of a unit hydroxyalkanoic acid, provides physical and chemical properties; culturing CANON KABUSHIKI KAISHA (JP) 2005-06-28 US claimed
US-20030096384-A1 Novel polyhydroxyalkanoate that comprises unit having substituted or unsubstituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KABUSHIKI KAISHA (JP) 2003-05-22 US claimed
EP-1262508-A2 Novel polyhydroxyalkanoate that comprises unit having substituted or unsubstituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KABUSHIKI KAISHA (JP) 2002-12-04 EP claimed
EP-1262508-B1 Novel polyhydroxyalkanoate that comprises unit having substituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KK (JP) 2007-08-08 EP disclosed
US-6911521-B2 Polyhydroxyalkanoate has a substituted or unsubstituted (phenylmethyl)sulfanyl structure on side chain of a unit hydroxyalkanoic acid, provides physical and chemical properties; culturing CANON KABUSHIKI KAISHA (JP) 2005-06-28 US disclosed
US-20030096384-A1 Novel polyhydroxyalkanoate that comprises unit having substituted or unsubstituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KABUSHIKI KAISHA (JP) 2003-05-22 US disclosed
EP-1262508-A2 Novel polyhydroxyalkanoate that comprises unit having substituted or unsubstituted (phenylmethyl) sulfanyl structure in side chain thereof and process for producing the same CANON KABUSHIKI KAISHA (JP) 2002-12-04 EP disclosed