SCHEMBL28699580

SCHEMBL28699580

CCCC1(C(N)=O)CCN(C(=O)OC(C)(C)C)CC1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
CYP4F2 P78329 1/20 0.40
CYP4A11 Q02928 1/20 0.40
HPGD P15428 1/20 0.38
EPHX2 P34913 1/20 0.38
OPRD1 P41143 1/20 0.38
OPRK1 P41145 1/20 0.38
GPR119 Q8TDV5 2/20 0.37
MMP2 P08253 2/20 0.37
MMP13 P45452 2/20 0.37
ADAM17 P78536 2/20 0.37
PKM P14618 1/20 0.37
MMP14 P50281 1/20 0.37
NAMPT P43490 1/20 0.37
DPP4 P27487 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL17830841 0.88 USP2 (0.50) USP2SMN1; SMN2CYP4F2CYP4A11HPGD
SCHEMBL17707510 0.87 USP2 (0.45) USP2SMN1; SMN2CYP4F2CYP4A11HPGD
SCHEMBL23527934 0.85 USP2 (0.46) USP2SMN1; SMN2CYP4F2CYP4A11HPGD
SCHEMBL21565392 0.85 CYP4F2 (0.58) USP2SMN1; SMN2CYP4F2CYP4A11HPGD
SCHEMBL21963889 0.84 PKM (0.47) USP2SMN1; SMN2CYP4F2CYP4A11HPGD
SCHEMBL415499 0.83 MEN1 (0.42) USP2SMN1; SMN2CYP4F2CYP4A11
SCHEMBL28691268 0.82 USP2 (0.46) USP2SMN1; SMN2HPGDEPHX2OPRD1
SCHEMBL16450957 0.81 CYP4F2 (0.48) USP2SMN1; SMN2CYP4F2CYP4A11HPGD
SCHEMBL15353088 0.81 CYP4F2 (0.45) USP2SMN1; SMN2CYP4F2CYP4A11OPRD1
SCHEMBL15353393 0.81 CYP4F2 (0.45) USP2SMN1; SMN2CYP4F2CYP4A11OPRD1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115943144-B Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2025-05-13 CN disclosed
CN-115943144-A Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2023-04-07 CN disclosed
CN-114075175-A Compound serving as PAK4 kinase inhibitor and preparation method and application thereof 成都海博为药业有限公司 2022-02-22 CN disclosed