SCHEMBL28992153

SCHEMBL28992153

O=C(O)C(C(=O)O)C(F)C(F)F

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.32
ALDH1A1 P00352 2/20 0.32
TSHR P16473 1/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
HPGD P15428 2/20 0.30
HSD17B10 Q99714 2/20 0.30
TDP1 Q9NUW8 2/20 0.30
ABCB11 O95342 1/20 0.30
F2 P00734 1/20 0.30
TP53 P04637 1/20 0.30
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
ALOX15 P16050 1/20 0.30
KMT2A Q03164 1/20 0.30
CYP2C19 P33261 1/20 0.30
DUSP3 P51452 1/20 0.30
PTPN5 P54829 1/20 0.30
PTPN11 Q06124 1/20 0.30

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
SCHEMBL29171528 0.88
SCHEMBL29105679 0.83 TP53 (0.30) TP53
SCHEMBL29105725 0.79
SCHEMBL28788868 0.76 ALDH1A1 (0.33) LMNAALDH1A1TSHRTHRBRECQL
SCHEMBL8395914 0.73 LMNA (0.32) LMNAALDH1A1TSHRTHRBRECQL
SCHEMBL25264603 0.71 ALDH1A1 (0.37) LMNAALDH1A1TSHRTHRBRECQL
SCHEMBL28976324 0.71 TSHR (0.53) LMNAALDH1A1TSHRTHRBRECQL
SCHEMBL27647176 0.71
SCHEMBL28042471 0.69 ALDH1A1 (0.33) LMNAALDH1A1TSHRTHRBRECQL
SCHEMBL22029926 0.69 ALDH1A1 (0.35) ALDH1A1THRBRECQLCYP2C19

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-110383066-B Compounds, compositions and methods 戴纳立制药公司 2023-03-31 CN disclosed