SCHEMBL28076225

SCHEMBL28076225

CCN(CC)c1cccc(C(=O)O)c1C(=O)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 5/20 0.45
HPGD P15428 1/20 0.45
POLB P06746 1/20 0.43
TP53 P04637 2/20 0.41
HTT P42858 1/20 0.41
MYC P01106 1/20 0.41
RAB9A P51151 1/20 0.41
MAOB P27338 1/20 0.40
CDC25B P30305 1/20 0.40
ATM Q13315 1/20 0.40
GAA P10253 1/20 0.40
MAPT P10636 1/20 0.40
TSHR P16473 1/20 0.40
ALOX15 P16050 1/20 0.39
ABCB1 P08183 2/20 0.39

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
SCHEMBL30026207 0.87 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL3389488 0.87 SMN1; SMN2 (0.52) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL27715391 0.85 ALDH1A1 (0.43) AKR1C3SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL28239485 0.84 LIG1 (0.46) AKR1C3SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL164788 0.83 ALDH1A1 (0.50) AKR1C3SMN1; SMN2MEN1KMT2AL3MBTL1
Benzene SCHEMBL28322744 0.83 ALDH1A1 (0.50) AKR1C3SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL29772315 0.83 ALDH1A1 (0.50) AKR1C3SMN1; SMN2MEN1KMT2AL3MBTL1
Benzoic Acid Hexyl Ester SCHEMBL29090854 0.83 ALDH1A1 (0.52) SMN1; SMN2MEN1KMT2AL3MBTL1ALDH1A1
SCHEMBL27985312 0.82 MEN1 (0.51) AKR1C3SMN1; SMN2MEN1KMT2AL3MBTL1
SCHEMBL8560961 0.82 MEN1 (0.47) AKR1C3SMN1; SMN2MEN1KMT2AL3MBTL1

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-103443215-B Radiation-hardenable composition 湛新比利时股份有限公司 2016-08-24 CN disclosed