SCHEMBL13610028

SCHEMBL13610028

COC(=O)CC(C)CCSCc1ccc(F)cc1

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 3/20 0.45
RAB9A P51151 1/20 0.45
FOLH1 Q04609 2/20 0.44
HTT P42858 2/20 0.43
MAPT P10636 1/20 0.43
ACE P12821 1/20 0.43
GAA P10253 1/20 0.42
HPGD P15428 1/20 0.41
TSHR P16473 1/20 0.40
CA12 O43570 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
CA14 Q9ULX7 1/20 0.39
NPC1 O15118 1/20 0.39
MEN1 O00255 1/20 0.39

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
SCHEMBL13610016 0.82 KMT2A (0.47) KMT2AALDH1A1HTTMAPTGAA
SCHEMBL13610026 0.82 TDP1 (0.46) KMT2AALDH1A1RAB9AHTTMAPT
SCHEMBL28200415 0.79 HTT (0.49) KMT2AALDH1A1HTTMAPTGAA
SCHEMBL13610023 0.74 NPC1 (0.49) TP53KMT2AALDH1A1RAB9AHTT
SCHEMBL14593406 0.74 EPHX2 (0.46) ALDH1A1HTTMAPTGAA
SCHEMBL4460696 0.73 LMNA (0.52) KMT2AALDH1A1RAB9AMAPTACE
SCHEMBL22118326 0.72 MAPT (0.48) TP53KMT2AALDH1A1RAB9AHTT
SCHEMBL5180234 0.71 FOLH1 (0.50) TP53KMT2AALDH1A1RAB9AFOLH1
SCHEMBL14593495 0.71 ALDH1A1 (0.47) KMT2AALDH1A1HTTMAPTGAA
SCHEMBL4851286 0.71 HPGD (0.53) TP53KMT2AALDH1A1HTTMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7615233-B2 Particulate construct comprising polyhydroxyalkanoate and method for producing it CANON KABUSHIKI KAISHA (JP) 2009-11-10 US disclosed
US-7527809-B2 Polyhydroxyalkanoate-containing magnetic structure, and manufacturing method and use thereof CANON KABUSHIKI KAISHA (JP) 2009-05-05 US disclosed