SCHEMBL29360995

SCHEMBL29360995

O=C(O)c1cc(-c2ccccc2F)ccc1F

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 3/20 0.76
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.51
MEN1 O00255 1/20 0.51
USP2 O75604 1/20 0.51
DHFR P00374 1/20 0.51
CA1 P00915 1/20 0.51
CA2 P00918 1/20 0.51
LMNA P02545 1/20 0.51
TTR P02766 1/20 0.51
ALB P02768 1/20 0.51
HMGB1 P09429 1/20 0.51
HPGD P15428 1/20 0.51
CXCL12 P48061 1/20 0.51
KMT2A Q03164 1/20 0.51
HIF1A Q16665 1/20 0.51
SLC22A6 Q4U2R8 1/20 0.51
HSD17B10 Q99714 1/20 0.51
DHODH Q02127 6/20 0.51
PTPRC P08575 1/20 0.50

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
SCHEMBL18742254 1.00 ACMSD (0.76) ACMSDALDH1A1KDM4EMEN1USP2
SCHEMBL14252244 0.89 ACMSD (0.76) ACMSDALDH1A1KDM4EMEN1USP2
SCHEMBL412439 0.86 ACMSD (1.00) ACMSDALDH1A1KDM4EMEN1USP2
SCHEMBL505872 0.86 ACMSD (0.71) ACMSDALDH1A1KDM4EMEN1USP2
SCHEMBL10024262 0.85 ACMSD (0.69) ACMSDALDH1A1KDM4EMEN1USP2
SCHEMBL121427 0.83 ACMSD (0.63) ACMSDDHFRPTPN1MCL1AKR1C2
SCHEMBL31028186 0.83 ACMSD (0.63) ACMSDDHFRPTPN1MCL1AKR1C2
SCHEMBL28173338 0.83 ACMSD (0.77) ACMSDALDH1A1KDM4EMEN1USP2
SCHEMBL12878521 0.82 ACMSD (0.66) ACMSDALDH1A1KDM4EMEN1USP2
SCHEMBL2559727 0.82 ACMSD (0.54) ACMSDALDH1A1KDM4EMEN1USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114306297-A Proteasome inhibitors and uses thereof 康奈尔大学 2022-04-12 CN disclosed
CN-108351169-B Proteasome inhibitors and uses thereof 康奈尔大学 2022-01-28 CN disclosed