SCHEMBL29991950

SCHEMBL29991950

CC(C)(C)OC(=O)N1CCC(OCCNC(=O)OCc2ccccc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.51
KEAP1 Q14145 3/20 0.51
NFE2L2 Q16236 3/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
GPR119 Q8TDV5 2/20 0.50
KDM4E B2RXH2 1/20 0.50
PKM P14618 1/20 0.50
STS P08842 1/20 0.50
LMNA P02545 1/20 0.50
ABCB1 P08183 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
L3MBTL1 Q9Y468 2/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
MAPT P10636 1/20 0.46
MAPK1 P28482 1/20 0.46
NTSR1 P30989 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
YAP1 P46937 1/20 0.46

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
SCHEMBL23673639 0.92 HTT (0.53) HTTSMN1; SMN2GPR119KDM4EPKM
SCHEMBL29617084 0.90 ABCB1 (0.53) HTTKEAP1NFE2L2SMN1; SMN2LMNA
SCHEMBL30750571 0.89 SIGMAR1 (0.50) HTTKEAP1NFE2L2LMNAABCB1
SCHEMBL20782479 0.86 KDM4E (0.58) HTTKEAP1NFE2L2SMN1; SMN2GPR119
SCHEMBL29165783 0.86 HTT (0.50) HTTSMN1; SMN2GPR119KDM4EPKM
SCHEMBL31615853 0.86 HTT (0.50) HTTSMN1; SMN2GPR119KDM4EPKM
SCHEMBL8669009 0.85 KDM4E (0.54) HTTKEAP1NFE2L2SMN1; SMN2GPR119
SCHEMBL1938768 0.85 HTT (0.64) HTTKEAP1NFE2L2SMN1; SMN2GPR119
SCHEMBL21998141 0.85 HTT (0.51) HTTKEAP1NFE2L2SMN1; SMN2GPR119
SCHEMBL20659982 0.84 KDM4E (0.56) HTTKEAP1NFE2L2SMN1; SMN2GPR119

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
EP-4334307-A1 CDK2 DEGRADERS AND USES THEREOF Kymera Therapeutics, Inc. (US) 2024-03-13 EP disclosed
WO-2022236058-A1 CDK2 DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. (US) 2022-11-10 WO disclosed