SCHEMBL18154418

SCHEMBL18154418

CC(C)(C)OC(=O)N1CCC(CNCC(=O)O)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.60
PKM P14618 1/20 0.60
EPHX1 P07099 1/20 0.49
TGFBR1 P36897 2/20 0.48
HPGD P15428 1/20 0.48
GLS O94925 2/20 0.46
GPR119 Q8TDV5 1/20 0.46
RECQL P46063 1/20 0.46
JAK2 O60674 1/20 0.45
JAK1 P23458 1/20 0.45
TYK2 P29597 1/20 0.45
MAPT P10636 1/20 0.45
THRB P10828 1/20 0.45
PTPN2 P17706 1/20 0.45
PTPN1 P18031 1/20 0.45
PTPN6 P29350 1/20 0.45
STS P08842 1/20 0.44
KDM1A O60341 1/20 0.44
HTR6 P50406 1/20 0.44
USP2 O75604 1/20 0.44

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
SCHEMBL5573225 0.89 KDM4E (0.63) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL1244714 0.85 KDM4E (0.59) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL584378 0.84 KDM4E (0.54) KDM4EPKMEPHX1HPGDGLS
SCHEMBL6152939 0.84 KDM4E (0.68) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL381974 0.83 KDM4E (0.53) KDM4EPKMEPHX1HPGDGPR119
SCHEMBL627965 0.83 KDM4E (0.60) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL28063864 0.83 KDM4E (0.53) KDM4EPKMEPHX1HPGDGLS
SCHEMBL3023628 0.82 KDM4E (0.56) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL1238023 0.82 KDM4E (0.56) KDM4EPKMEPHX1TGFBR1HPGD
SCHEMBL3581788 0.82 KDM4E (0.56) KDM4EPKMEPHX1TGFBR1HPGD

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
CN-115803030-A Compounds and methods for KRAS-targeted degradation 阿维纳斯企业公司 2023-03-14 CN disclosed
WO-2016140878-A9 PRODRUGS RILUZOLE AND THEIR METHOD OF USE BIOHAVEN PHARMACEUTICAL HOLDING COMPANY LTD. (US) 2016-10-20 WO disclosed