SCHEMBL8324518

SCHEMBL8324518

CCN(CC)c1ccc(C(c2ccc(N(C)C)cc2)c2ccc(N(C)C)cc2)c(C(=O)O)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
MEN1 O00255 2/20 0.44
ALDH1A1 P00352 6/20 0.43
KDM4E B2RXH2 1/20 0.43
SLC16A3 O15427 1/20 0.43
HPGD P15428 1/20 0.43
ALOX15 P16050 1/20 0.43
SLC16A1 P53985 1/20 0.43
HSD17B10 Q99714 1/20 0.43
GAA P10253 4/20 0.41
TSHR P16473 2/20 0.41
CNR2 P34972 8/20 0.39
TDP1 Q9NUW8 3/20 0.39
MAPT P10636 2/20 0.38
THRB P10828 1/20 0.38
HTT P42858 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
GRK6 P43250 1/20 0.37

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
SCHEMBL7778133 0.99 ALDH1A1 (0.43) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL10999527 0.96 ALDH1A1 (0.43) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7778136 0.95 ALDH1A1 (0.44) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7778164 0.93 ALDH1A1 (0.48) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL10687283 0.90 SMN1; SMN2 (0.39) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7778141 0.89 ALDH1A1 (0.45) L3MBTL1KMT2AMEN1ALDH1A1KDM4E
SCHEMBL10689098 0.87 TDP1 (0.39) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7780490 0.86 ALDH1A1 (0.39) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL10691570 0.86 ALDH1A1 (0.43) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL7781204 0.85 ALDH1A1 (0.48) L3MBTL1KMT2ASMN1; SMN2MEN1ALDH1A1

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-5973168-A Preparation process of phthalide compound MITSUI CHEMICALS, INC. (JP) 1999-10-26 US disclosed