SCHEMBL29084501

SCHEMBL29084501

COC(=O)c1cccc(CCCCOS(=O)(=O)c2ccc(C)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 3/20 0.58
CYP4A11 Q02928 3/20 0.58
MAPT P10636 2/20 0.53
PSMD10 O75832 1/20 0.52
TCF4 P15884 1/20 0.51
CTNNB1 P35222 1/20 0.51
LOXL2 Q9Y4K0 1/20 0.47
CYP2C9 P11712 2/20 0.44
DHODH Q02127 1/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
SLC7A5 Q01650 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.41
GAA P10253 1/20 0.41
AKR1C3 P42330 1/20 0.41
PARP1 P09874 1/20 0.41

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
SCHEMBL29768576 1.00 CYP4F2 (0.58) CYP4F2CYP4A11MAPTPSMD10TCF4
SCHEMBL4948092 0.84 PSMD10 (0.42) CYP4F2CYP4A11MAPTPSMD10SLC7A5
SCHEMBL5068482 0.82 PSMD10 (0.65) CYP4F2CYP4A11MAPTPSMD10LOXL2
SCHEMBL28710589 0.82 CYP24A1 (0.42) MAPTKMT2AAKR1C3
SCHEMBL18934283 0.81 CYP19A1 (0.48) PSMD10CYP2C9CA12CA1CA9
SCHEMBL15432944 0.81 AKR1C3 (0.45) CYP4F2CYP4A11PSMD10CA1CA2
SCHEMBL39967 0.81 AKR1C3 (0.45) CYP4F2CYP4A11PSMD10CA1CA2
SCHEMBL2792993 0.80 EGFR (0.48) CA12CA1CA9
SCHEMBL29084505 0.79 TCF4 (0.53) MAPTPSMD10TCF4CTNNB1CYP2C9
SCHEMBL29768638 0.79 TCF4 (0.53) MAPTPSMD10TCF4CTNNB1CYP2C9

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-116438177-A Targeted chimeric compounds, pharmaceutical compositions containing same, and preparation methods and uses thereof 江苏亚虹医药科技股份有限公司 2023-07-14 CN disclosed