SCHEMBL28898378

SCHEMBL28898378

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2ccc(-c3ccccc3)cc2)CC1

nearest known ligand 0.90

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.90
PTPN2 P17706 2/20 0.90
PTPN6 P29350 1/20 0.90
ABL1 P00519 1/20 0.67
RIN1 Q13671 1/20 0.67
NPC1 O15118 1/20 0.64
RAB9A P51151 1/20 0.64
STS P08842 1/20 0.57
GPR119 Q8TDV5 1/20 0.57
NAMPT P43490 1/20 0.56
RXRA P19793 1/20 0.56
RXRB P28702 1/20 0.56
RXRG P48443 1/20 0.56
ACHE P22303 1/20 0.55
BACE1 P56817 1/20 0.55
LMNA P02545 1/20 0.54
USP30 Q70CQ3 3/20 0.54
P2RY14 Q15391 1/20 0.54

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
SCHEMBL3557554 0.92 PTPN2 (0.81) PTPN1PTPN2PTPN6ABL1RIN1
Hydrochloric Acid SCHEMBL28768913 0.91 PTPN2 (0.79) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL12771465 0.89 PTPN1 (0.88) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL28454201 0.88 PTPN2 (0.74) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL1317618 0.86 PTPN2 (0.71) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL29971632 0.86 PTPN2 (0.71) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL29686111 0.86 PTPN2 (0.71) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL12648835 0.86 PTPN2 (0.83) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL8283575 0.85 PTPN2 (0.81) PTPN1PTPN2PTPN6ABL1RIN1
SCHEMBL2378725 0.85 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