SCHEMBL30960892

SCHEMBL30960892

C=CC(C)(N=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
NOTUM Q6P988 1/20 0.35
MYC P01106 1/20 0.34
MAPT P10636 2/20 0.34
KMT2A Q03164 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
KDM4E B2RXH2 1/20 0.33
POLB P06746 1/20 0.33
GPR35 Q9HC97 1/20 0.33
RPS6KA3 P51812 1/20 0.33
JAK3 P52333 1/20 0.33
CES2 O00748 1/20 0.33
ALDH1A1 P00352 2/20 0.33
RECQL P46063 1/20 0.33
GAA P10253 1/20 0.32
APP P05067 1/20 0.32
P2RX1 P51575 1/20 0.32
TMPRSS4 Q9NRS4 1/20 0.32
CFTR P13569 1/20 0.31

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
SCHEMBL29228641 1.00 NOTUM (0.35) NOTUMMYCMAPTKMT2ASMN1; SMN2
SCHEMBL30960894 1.00 NOTUM (0.35) NOTUMMYCMAPTKMT2ASMN1; SMN2
SCHEMBL29228854 0.85 MYC (0.36) MYCMAPTKMT2ARPS6KA3JAK3
SCHEMBL29228670 0.85 MYC (0.36) MYCMAPTKMT2ARPS6KA3JAK3
SCHEMBL2215835 0.83 NOTUM (0.38) NOTUMMYCMAPTKMT2ASMN1; SMN2
SCHEMBL2215838 0.83 NOTUM (0.38) NOTUMMYCMAPTKMT2ASMN1; SMN2
SCHEMBL30960886 0.81 ALDH1A1 (0.36) NOTUMMYCMAPTKMT2ASMN1; SMN2
SCHEMBL30960882 0.81 ALDH1A1 (0.34) NOTUMMYCMAPTKMT2ASMN1; SMN2
SCHEMBL30960908 0.81 ALDH1A1 (0.34) NOTUMMYCMAPTKMT2ASMN1; SMN2
SCHEMBL30960888 0.81 ALDH1A1 (0.36) NOTUMMYCMAPTKMT2ASMN1; SMN2

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-118026886-A Synthesis method of various functionalized beta-amino acid esters 国科大杭州高等研究院 2024-05-14 CN disclosed