SCHEMBL6507786

SCHEMBL6507786

CC(C)(C)OC(=O)N1CCC(NC(=O)OCc2ccccc2)(C2CCCCC2)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STS P08842 1/20 0.48
CTSL P07711 2/20 0.46
YAP1 P46937 1/20 0.45
HTT P42858 1/20 0.45
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
GPR119 Q8TDV5 2/20 0.44
KDM1A O60341 1/20 0.44
KDM4E B2RXH2 1/20 0.44
PKM P14618 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
BACE1 P56817 1/20 0.42
KEAP1 Q14145 1/20 0.42
NFE2L2 Q16236 1/20 0.42
CTSB P07858 1/20 0.42
CTSS P25774 1/20 0.42
EPHX1 P07099 1/20 0.42

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
SCHEMBL31566731 0.89 STS (0.47) STSCTSLYAP1HTTNPC1
SCHEMBL10243169 0.83 BACE1 (0.44) STSCTSLYAP1HTTNPC1
SCHEMBL551650 0.82 MEN1 (0.48) STSYAP1KDM4EPKMMEN1
SCHEMBL2206561 0.81 MEN1 (0.47) STSCTSLYAP1MEN1KMT2A
SCHEMBL21009793 0.81 MEN1 (0.46) STSCTSLYAP1MEN1KMT2A
SCHEMBL607180 0.81 MEN1 (0.46) STSYAP1HTTMEN1KMT2A
SCHEMBL17609000 0.80 OPRD1 (0.47) STSYAP1NPC1RAB9ASMN1; SMN2
SCHEMBL2797417 0.80 MEN1 (0.46) STSCTSLYAP1HTTNPC1
SCHEMBL607947 0.80 TACR1 (0.47) STSYAP1MEN1KMT2ABACE1
SCHEMBL2208865 0.80 OPRD1 (0.47) STSCTSLYAP1NPC1RAB9A

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
WO-2005047253-A1 MELANOCORTIN RECEPTOR AGONISTS LG LIFE SCIENCES LTD. (KR) 2005-05-26 WO disclosed