SCHEMBL10477359

SCHEMBL10477359

CCc1cc(OC)cc(CC)c1/C=C(\NC(C)=O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 1/20 0.39
POLB P06746 2/20 0.38
KDM4E B2RXH2 1/20 0.38
ABL1 P00519 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
RIN1 Q13671 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
BACE1 P56817 1/20 0.36
ALDH1A1 P00352 2/20 0.36
KMT2A Q03164 2/20 0.36
LMNA P02545 2/20 0.35
MTNR1A P48039 4/20 0.35
MTNR1B P49286 4/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MEN1 O00255 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
SCHEMBL10477360 1.00 MCL1 (0.39) MCL1POLBKDM4EABL1MAPT
SCHEMBL10477415 0.92 MEN1 (0.37) MCL1POLBKDM4EABL1MAPT
SCHEMBL10477418 0.92 MEN1 (0.37) MCL1POLBKDM4EABL1MAPT
SCHEMBL10477373 0.82 HPGD (0.40) MCL1POLBBACE1ALDH1A1KMT2A
SCHEMBL10477436 0.82 HPGD (0.40) MCL1POLBBACE1ALDH1A1KMT2A
SCHEMBL10477364 0.74 ALDH1A1 (0.37) MCL1KDM4EALDH1A1KMT2ASMN1; SMN2
SCHEMBL10734451 0.73 ALDH1A1 (0.52) KDM4EMAPTBACE1ALDH1A1SMN1; SMN2
SCHEMBL10734447 0.73 ALDH1A1 (0.52) KDM4EMAPTBACE1ALDH1A1SMN1; SMN2
SCHEMBL28422488 0.73 ALDH1A1 (0.52) KDM4EMAPTBACE1ALDH1A1SMN1; SMN2
SCHEMBL8653628 0.71 ALDH1A1 (0.58) POLBKDM4EMAPTALDH1A1KMT2A

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
US-4879398-A Process for producing 2,6-disubstituted tyrosine MONSANTO COMPANY (US) 1989-11-07 US disclosed