SCHEMBL6564859

SCHEMBL6564859

CC(C)(C)OC(=O)N1CCC(N(CCCOc2cccc(C(N)=O)c2)CC(c2ccccc2)C2CCCCC2)CC1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
NR1H3 Q13133 1/20 0.42
MEN1 O00255 4/20 0.41
KMT2A Q03164 4/20 0.41
GPR119 Q8TDV5 7/20 0.40
CHEK2 O96017 1/20 0.39
KDM4E B2RXH2 1/20 0.38
PKM P14618 1/20 0.38
USP30 Q70CQ3 1/20 0.37
PARP14 Q460N5 1/20 0.36
SLC6A4 P31645 1/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MMP13 P45452 1/20 0.36

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
SCHEMBL6519456 0.91 NR1H3 (0.43) NR1H3KDM4ESLC6A4HRH3
SCHEMBL6512055 0.90 NR1H3 (0.45) NR1H3MEN1KMT2AKDM4EPARP14
SCHEMBL6515545 0.90 NR1H3 (0.44) NR1H3MEN1KMT2APARP14SLC6A4
SCHEMBL6515170 0.89 NR1H3 (0.44) NR1H3MEN1KMT2ACHEK2PARP14
SCHEMBL6519566 0.88 NR1H3 (0.42) NR1H3GPR119
SCHEMBL6515253 0.85 OPRK1 (0.51) NR1H3KMT2ACHEK2
SCHEMBL6567185 0.84 NR1H3 (0.43) NR1H3MEN1KMT2ASLC6A4HRH3
SCHEMBL6515535 0.81 NR1H3 (0.46) NR1H3MEN1KMT2AKDM4E
SCHEMBL6515000 0.81 NR1H3 (0.51) NR1H3KDM4E
SCHEMBL6566798 0.80 NR1H3 (0.45) NR1H3PARP14

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
EP-1318976-B1 SUBSTITUTED AMINOPROPOXYARYL DERIVATIVES USEFUL AS AGONISTS FOR LXR GLAXO GROUP LTD (GB) 2004-11-24 EP claimed