SCHEMBL28300052

SCHEMBL28300052

CCC(CC)(CC(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
L3MBTL1 Q9Y468 3/20 0.53
MAPK1 P28482 2/20 0.53
TDP1 Q9NUW8 3/20 0.45
KMT2A Q03164 2/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A3 Q01959 1/20 0.45
SLC15A1 P46059 2/20 0.43
TSHR P16473 2/20 0.42
CYP3A4 P08684 1/20 0.42
LMNA P02545 2/20 0.42
MEN1 O00255 1/20 0.42
CASP3 P42574 1/20 0.42
RAB9A P51151 1/20 0.42
SENP8 Q96LD8 1/20 0.42
SENP7 Q9BQF6 1/20 0.42
SENP6 Q9GZR1 1/20 0.42
HCAR2 Q8TDS4 1/20 0.41
CDC25B P30305 1/20 0.41

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
SCHEMBL19690610 0.89 ALDH1A1 (0.51) ALDH1A1L3MBTL1MAPK1TDP1KMT2A
Ammonia Solution, Strong SCHEMBL27875656 0.87 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1TDP1KMT2A
SCHEMBL17617120 0.84 ALDH1A1 (0.53) ALDH1A1L3MBTL1MAPK1TDP1KMT2A
SCHEMBL23142610 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1TDP1KMT2A
SCHEMBL11156534 0.81 ALDH1A1 (0.56) ALDH1A1L3MBTL1MAPK1TDP1KMT2A
SCHEMBL28045637 0.80 ALDH1A1 (0.49) ALDH1A1L3MBTL1MAPK1TDP1KMT2A
SCHEMBL3185138 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1TDP1KMT2A
SCHEMBL3283062 0.79 ALDH1A1 (0.54) ALDH1A1L3MBTL1MAPK1TDP1KMT2A
SCHEMBL3047519 0.79 ALDH1A1 (0.47) ALDH1A1L3MBTL1MAPK1TDP1KMT2A
SCHEMBL28113526 0.79 ALDH1A1 (0.50) ALDH1A1L3MBTL1MAPK1TDP1KMT2A

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-109923170-A Concentrate composition and polypropylene resin composite comprising the concentrate composition 胜亚诺盟股份有限公司 2019-06-21 CN disclosed