SCHEMBL8530216

SCHEMBL8530216

CCC(C)CCCCCCCCOC(=O)NC[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
ACHE P22303 12/20 0.40
HRH4 Q9H3N8 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
LMNA P02545 1/20 0.39
KDM4E B2RXH2 2/20 0.35

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
SCHEMBL8440800 0.91 NPC1 (0.48) NPC1RAB9ASMN1; SMN2ACHELMNA
SCHEMBL8443388 0.91 ACHE (0.46) NPC1RAB9ASMN1; SMN2ACHEHRH4
SCHEMBL5720416 0.76 CHRNB2 (0.35)
SCHEMBL8987469 0.75 LMNA (0.40) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL8987290 0.75 LMNA (0.40) NPC1RAB9ASMN1; SMN2LMNAKDM4E
SCHEMBL8533291 0.73 CYP3A4 (0.48) HRH4HRH3LMNAKDM4E
SCHEMBL28573510 0.71 ACE2 (0.38) ACHEHRH4HRH3
SCHEMBL28577151 0.71 ACE2 (0.38) ACHEHRH4HRH3
SCHEMBL28418967 0.70 TSHR (0.44) ACHEHRH4HRH3
SCHEMBL1301841 0.69 ALDH1A1 (0.52) RAB9ASMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5849308-A Method of providing surfactant properties to a cosmetic or pharmaceutical composition using alkyl N-(hydroxyalkyl) carbamates L'OREAL (FR) 1998-12-15 US disclosed