SCHEMBL13610024

SCHEMBL13610024

COC(=O)CC(C)CCc1cccs1

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.44
RAB9A P51151 5/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 3/20 0.43
HPGD P15428 3/20 0.43
BRD4 O60885 1/20 0.42
PKM P14618 1/20 0.42
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADAM17 P78536 3/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TP53 P04637 1/20 0.40
LMNA P02545 1/20 0.40

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
SCHEMBL1176719 0.83 CYP2C19 (0.49) POLBRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL4461404 0.79 SMN1; SMN2 (0.51) POLBRAB9ASMN1; SMN2NPC1ALDH1A1
Hydrochloric Acid SCHEMBL8763040 0.78 SMN1; SMN2 (0.50) POLBRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL13610025 0.77 ALDH1A1 (0.59) POLBRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL2222434 0.76 SMN1; SMN2 (0.60) POLBRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL13610029 0.76 RAB9A (0.40) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL4206102 0.75 TSHR (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL14338691 0.75 TSHR (0.53) RAB9ASMN1; SMN2NPC1ALDH1A1HPGD
SCHEMBL6331207 0.75 SMN1; SMN2 (0.62) POLBRAB9ASMN1; SMN2NPC1ALDH1A1
SCHEMBL6408562 0.75 RAB9A (0.51) POLBRAB9ASMN1; SMN2NPC1CYP2C19

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