SCHEMBL28455754

SCHEMBL28455754

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(F)cc2)CC1

nearest known ligand 0.81

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.81
PTPN2 P17706 1/20 0.81
PTPN6 P29350 1/20 0.81
ABL1 P00519 1/20 0.69
RIN1 Q13671 1/20 0.69
NPC1 O15118 1/20 0.66
RAB9A P51151 1/20 0.66
MAPT P10636 3/20 0.59
LMNA P02545 2/20 0.58
HTT P42858 2/20 0.58
KMT2A Q03164 3/20 0.55
MEN1 O00255 1/20 0.55
ALDH1A1 P00352 1/20 0.53
FAAH O00519 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
NAMPT P43490 1/20 0.53
EPHX2 P34913 1/20 0.53
HDAC1 Q13547 1/20 0.53
HDAC2 Q92769 1/20 0.53

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
SCHEMBL28778540 0.88 PTPN1 (0.63) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL12648835 0.88 PTPN2 (0.83) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL29716354 0.88 PTPN2 (0.77) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL13707509 0.87 PTPN2 (0.81) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL8283575 0.87 PTPN2 (0.81) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL2378725 0.87 PTPN2 (0.81) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL193294 0.87 RAB9A (0.65) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL193295 0.87 RAB9A (0.65) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL3557554 0.87 PTPN2 (0.81) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL1355066 0.87 PTPN2 (0.81) PTPN1PTPN2PTPN6ABL1RIN1

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-B Tripeptide epoxy ketone compound constructed by heterocycle, preparation and application 浙江大学 2020-08-11 CN disclosed