SCHEMBL13610026

SCHEMBL13610026

COC(=O)CC(C)CCSc1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
ALDH1A1 P00352 4/20 0.44
HTT P42858 2/20 0.44
MAPT P10636 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
LMNA P02545 1/20 0.41
L3MBTL1 Q9Y468 3/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
HPGD P15428 3/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
TSHR P16473 1/20 0.37
POLB P06746 1/20 0.37
CXCR1 P25024 1/20 0.36

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
SCHEMBL4995417 0.86 NPC1 (0.46) TDP1NPC1RAB9AALDH1A1HTT
SCHEMBL13610028 0.82 TP53 (0.47) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL14593406 0.78 EPHX2 (0.46) ALDH1A1HTTMAPTSMN1; SMN2
SCHEMBL13610016 0.78 KMT2A (0.47) ALDH1A1HTTMAPTSMN1; SMN2L3MBTL1
SCHEMBL12471098 0.76 RAB9A (0.57) TDP1NPC1RAB9AALDH1A1HTT
SCHEMBL13610023 0.75 NPC1 (0.49) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL3112575 0.75 MAPT (0.53) NPC1RAB9AALDH1A1HTTMAPT
SCHEMBL20545474 0.75 RAB9A (0.52) TDP1NPC1RAB9AALDH1A1HTT
SCHEMBL14093887 0.74 NPC1 (0.46) TDP1NPC1RAB9AALDH1A1HTT
SCHEMBL28200415 0.74 HTT (0.49) TDP1ALDH1A1HTTMAPTMEN1

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