SCHEMBL5180355

SCHEMBL5180355

Cc1ccc(CSCCCCC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 1/20 0.54
ALDH1A1 P00352 7/20 0.51
LMNA P02545 2/20 0.51
HPGD P15428 3/20 0.49
KMT2A Q03164 2/20 0.49
MEN1 O00255 1/20 0.49
POLB P06746 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
PKM P14618 1/20 0.47
RECQL P46063 1/20 0.46
HTT P42858 2/20 0.46
FFAR1 O14842 1/20 0.45
GAA P10253 1/20 0.44

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
SCHEMBL7716565 0.88 CYP2C19 (0.70) CYP2C19ALDH1A1LMNAHPGDKMT2A
SCHEMBL713206 0.84 CYP2C19 (0.76) CYP2C19ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL3946639 0.83 CYP2C19 (0.54) CYP2C19LMNAKMT2AHTTFFAR1
SCHEMBL3938443 0.83 CYP2C19 (0.73) CYP2C19ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL1585162 0.83 CYP2C19 (0.73) CYP2C19ALDH1A1LMNAHPGDSMN1; SMN2
SCHEMBL28210585 0.81 IDO1 (0.49) KMT2AFFAR1
SCHEMBL530979 0.80 PDE4B (0.54) CYP2C19ALDH1A1POLBSMN1; SMN2PKM
Adipic Acid SCHEMBL3804252 0.80 KMT2A (0.61) ALDH1A1LMNAKMT2AMEN1FFAR1
Adipic Acid SCHEMBL27731397 0.80 KMT2A (0.61) ALDH1A1LMNAKMT2AMEN1FFAR1
SCHEMBL5180190 0.79 CYP2C19 (0.79) CYP2C19ALDH1A1LMNAHPGDSMN1; 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 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