SCHEMBL9617192

SCHEMBL9617192

CCN(CC)c1ccc(C(=O)c2cc(C(=O)O)c(C(=O)c3ccc(N(CC)CC)cc3O)cc2C(=O)O)c(O)c1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.79
KMT2A Q03164 5/20 0.79
SMN1; SMN2 Q16637 4/20 0.79
L3MBTL1 Q9Y468 1/20 0.79
ALDH1A1 P00352 9/20 0.60
KDM4E B2RXH2 6/20 0.60
GAA P10253 3/20 0.60
POLB P06746 1/20 0.60
HPGD P15428 3/20 0.47
SLC16A3 O15427 1/20 0.47
ALOX15 P16050 1/20 0.47
SLC16A1 P53985 1/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 7/20 0.42
MCL1 Q07820 2/20 0.41
BCL2L1 Q07817 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
LMNA P02545 2/20 0.40
CRHBP P24387 1/20 0.40

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
SCHEMBL22938990 0.94 MEN1 (0.84) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22939653 0.91 MEN1 (0.77) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11514122 0.90 MEN1 (0.78) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22939011 0.90 MEN1 (0.78) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL503775 0.89 MEN1 (0.75) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL22938989 0.89 MEN1 (0.76) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL11267085 0.89 SMN1; SMN2 (0.76) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL20357168 0.89 SMN1; SMN2 (0.76) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL20357365 0.89 SMN1; SMN2 (0.76) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1
SCHEMBL39206 0.88 KMT2A (1.00) MEN1KMT2ASMN1; SMN2L3MBTL1ALDH1A1

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
JP-4018060-A None JP disclosed
WO-2020065317-A1 COLOUR FORMING COMPOSITIONS DATALASE LTD. (GB) 2020-04-02 WO disclosed
WO-2020065319-A1 COLOUR FORMING COMPOSITION DATALASE LTD. (GB) 2020-04-02 WO disclosed
WO-2020065320-A1 COLOUR FORMING COMPONENTS AND COMPOSITIONS DATALASE LTD. (GB) 2020-04-02 WO disclosed
JP-H0418060-A NEW AROMATIC DIKETODICARBOXYLIC ACID AND PRODUCTION THEREOF MITSUI PETROCHEM IND LTD 1992-01-22 JP disclosed