SCHEMBL4257776

SCHEMBL4257776

Cc1ccc(SCC[C@H](O)C[C]=O)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPGD P15428 10/20 0.45
ALDH1A1 P00352 6/20 0.41
MAPT P10636 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
MAPK1 P28482 1/20 0.40
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
GAA P10253 1/20 0.37

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
SCHEMBL4266010 0.83 ALDH1A1 (0.48) ALDH1A1NPC1RAB9ACYP1A2CYP3A4
SCHEMBL4989028 0.79 MMP12 (0.48) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL4258875 0.75 FFAR1 (0.42) NPC1RAB9ACYP1A2SMN1; SMN2L3MBTL1
SCHEMBL17193393 0.75 HPGD (0.48) HPGDALDH1A1MAPTNPC1CYP1A2
SCHEMBL20553323 0.74 HPGD (0.50) HPGDALDH1A1MAPTCYP1A2CYP3A4
SCHEMBL4261689 0.73 MEN1 (0.49) HPGDALDH1A1NPC1MAPK1USP2
SCHEMBL21713291 0.72 MAOA (0.53) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL5168911 0.71 NPC1 (0.65) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL5805293 0.70 ALDH1A1 (0.43) HPGDALDH1A1MAPTNPC1RAB9A
SCHEMBL6509017 0.69 HPGD (0.49) HPGDALDH1A1MAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090029423-A1 METHOD FOR SEPARATING TARGET COMPONENT CANON KABUSHIKI KAISHA (JP) 2009-01-29 US disclosed
US-20070003975-A1 Structured construct and producing method therefor CANON KABUSHIKI KAISHA (JP) 2007-01-04 US disclosed
WO-2004097417-A1 STRUCTURED CONSTRUCT AND PRODUCING METHOD THEREFOR CANON KABUSHIKI KAISHA (JP) 2004-11-11 WO disclosed