SCHEMBL30988967

SCHEMBL30988967

COC(=O)[C@H](CC(=O)O)NCc1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.55
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
L3MBTL1 Q9Y468 3/20 0.50
MAPT P10636 2/20 0.50
GAA P10253 1/20 0.49
TRPM8 Q7Z2W7 1/20 0.48
MEP1B Q16820 2/20 0.48
ALDH1A1 P00352 1/20 0.47
THRB P10828 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
HSD17B10 Q99714 1/20 0.47
CA12 O43570 2/20 0.46
CA7 P43166 2/20 0.46
CA9 Q16790 2/20 0.46
CA14 Q9ULX7 2/20 0.46
POLB P06746 2/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44

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
SCHEMBL15729475 0.89 ATM (0.54) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL30988969 0.88 SMN1; SMN2 (0.49) KMT2AMEN1L3MBTL1MAPTGAA
SCHEMBL10906074 0.86 ATM (0.62) ATML3MBTL1ALDH1A1THRBCYP2C9
SCHEMBL28406623 0.86 CASP1 (0.50) MAPTGAATRPM8MEP1BALDH1A1
SCHEMBL26130291 0.86 CASP1 (0.50) MAPTGAATRPM8MEP1BALDH1A1
SCHEMBL14636601 0.85 ATM (0.56) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL304265 0.85 ATM (0.56) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL7907847 0.85 ATM (0.56) ATMKMT2AMEN1L3MBTL1MAPT
SCHEMBL2375644 0.85 ATM (0.68) ATMKMT2AMEN1L3MBTL1GAA
SCHEMBL5878196 0.85 ATM (0.56) ATMKMT2AMEN1L3MBTL1MAPT

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
WO-2024097744-A2 DNA-COMPATIBLE WITTIG OLEFINATION OF ON-DNA PEPTIDYL-YLIDES FOR DEVELOPMENT OF ON-DNA PEPTIDOMIMETICS THROUGH DIVERSITY-ORIENTED SYNTHESIS (DOS) THE ROCKEFELLER UNIVERSITY (US) 2024-05-10 WO disclosed