SCHEMBL28822397

SCHEMBL28822397

CC(C)(C)C(=O)ON1CCC(C(=O)Nc2ccc(F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.55
PTPN2 P17706 1/20 0.55
PTPN6 P29350 1/20 0.55
MAPT P10636 3/20 0.53
FAAH O00519 1/20 0.53
EPHX2 P34913 1/20 0.53
LMNA P02545 2/20 0.52
HTT P42858 1/20 0.52
KMT2A Q03164 3/20 0.51
MEN1 O00255 1/20 0.49
RXFP1 Q9HBX9 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
ABL1 P00519 1/20 0.48
RIN1 Q13671 1/20 0.48
RAB9A P51151 1/20 0.47
TSHR P16473 1/20 0.47
TP53 P04637 1/20 0.47

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
SCHEMBL28033000 0.87 L3MBTL1 (0.60) PTPN1PTPN2PTPN6MAPTFAAH
SCHEMBL28092176 0.87 GLA (0.58) PTPN1PTPN2PTPN6MAPTFAAH
SCHEMBL28033418 0.86 HTT (0.62) PTPN1PTPN2PTPN6MAPTEPHX2
SCHEMBL28282732 0.84 TP53 (0.64) HTTKMT2ARXFP1SMN1; SMN2TSHR
SCHEMBL28264102 0.84 PTPN1 (0.52) PTPN1PTPN2PTPN6MAPTLMNA
SCHEMBL28033057 0.83 ACHE (0.53) PTPN1PTPN2PTPN6MAPTKMT2A
SCHEMBL27745908 0.82 RECQL (0.62) EPHX2KMT2AMEN1SMN1; SMN2RAB9A
SCHEMBL28455754 0.82 PTPN1 (0.81) PTPN1PTPN2PTPN6MAPTFAAH
SCHEMBL27826414 0.82 ALDH1A1 (0.49) MAPTEPHX2HTTKMT2ARAB9A
SCHEMBL27710057 0.81 TP53 (0.55) MAPTEPHX2LMNAHTTKMT2A

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
CN-104945470-A Tripeptide epoxy ketone compound constructed by heterocycle as well as preparation method and application thereof UNIV ZHEJIANG 2015-09-30 CN disclosed