SCHEMBL11746207

SCHEMBL11746207

COC(=O)CCC1CCCCCCCCCCC1=O

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.54
RAB9A P51151 3/20 0.54
GAA P10253 1/20 0.54
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
LMNA P02545 1/20 0.48
CA1 P00915 4/20 0.44
CA2 P00918 4/20 0.44
CA4 P22748 4/20 0.44
CA6 P23280 4/20 0.44
EPHX2 P34913 4/20 0.42
KMT2A Q03164 1/20 0.39
HSD17B10 Q99714 1/20 0.38
CYP2D6 P10635 1/20 0.38
TSHR P16473 1/20 0.38
MAPK1 P28482 1/20 0.37
HTT P42858 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
SCHEMBL8159406 0.98 NPC1 (0.55) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL11763977 0.93 NPC1 (0.54) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL8829497 0.84 NPC1 (0.48) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL10925578 0.83 KDM4E (0.55) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL6730172 0.83 CA1 (0.47) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL10504390 0.83 CA1 (0.47) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL11765051 0.83 NPC1 (0.47) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL6036885 0.83 NPC1 (0.56) NPC1RAB9AGAAKDM4ESMN1; SMN2
Methoxymethane SCHEMBL29852076 0.82 KDM4E (0.57) NPC1RAB9AGAAKDM4ESMN1; SMN2
SCHEMBL29852107 0.82 NPC1 (0.49) NPC1RAB9AGAAKDM4ESMN1; SMN2

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-4005107-A 13-Oxabicyclo(10,4,0)hexadec-1(12)-en-14-one DAICEL, LTD. (JA) 1977-01-25 US disclosed