SCHEMBL28513653

SCHEMBL28513653

CCOS(=O)(=O)c1ccc(C)cc1OC1CCOCC1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.51
PDE4D Q08499 8/20 0.40
PDE4A P27815 7/20 0.40
PDE4B Q07343 7/20 0.40
PDE4C Q08493 7/20 0.40
KAT2B Q92831 1/20 0.37
BAZ2B Q9UIF8 1/20 0.37
BRD4 O60885 2/20 0.37
RORC P51449 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TSHR P16473 1/20 0.36
LMNA P02545 1/20 0.35
PTPN1 P18031 1/20 0.34
ALDH1A1 P00352 1/20 0.34
PSEN1 P49768 1/20 0.34
PSEN2 P49810 1/20 0.34
APH1B Q8WW43 1/20 0.34
NCSTN Q92542 1/20 0.34
APH1A Q96BI3 1/20 0.34

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
SCHEMBL28941585 0.87 SCN9A (0.38) SYKPDE4BMEN1KMT2ATSHR
SCHEMBL28512355 0.83 SCN9A (0.41) RORCMEN1KMT2ATSHR
SCHEMBL3918082 0.80 ALDH1A1 (0.38) SYKMEN1KMT2ATSHRLMNA
SCHEMBL21815478 0.75 MEN1 (0.47) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL3649899 0.75 MCOLN3 (0.50) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL27474298 0.73 NPY1R (0.45) MEN1KMT2ATSHRLMNAPTPN1
SCHEMBL20957425 0.73 SMN1; SMN2 (0.40) MEN1KMT2ATSHRLMNAALDH1A1
SCHEMBL28372969 0.73 CA1 (0.37) MEN1KMT2ATSHRALDH1A1
SCHEMBL29142433 0.72 TSHR (0.46) MEN1KMT2ATSHRLMNA
SCHEMBL27208962 0.72 MAPT (0.40) MEN1KMT2ATSHRALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117683049-A Indole derivatives as RAS inhibitors for the treatment of cancer 锐新医药公司 2024-03-12 CN disclosed
CN-116457358-A Indole derivatives as RAS inhibitors for the treatment of cancer 锐新医药公司 2023-07-18 CN disclosed
CN-116209438-A Treatment of malignant diseases with SHP2 mutations using SOS1 inhibitors 锐新医药公司 2023-06-02 CN disclosed
CN-112074522-B Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2022-08-26 CN disclosed
CN-112074522-A Compounds as protease activated receptor 4(PAR4) inhibitors for the treatment of platelet aggregation 深圳信立泰药业股份有限公司 2020-12-11 CN disclosed