SCHEMBL29779649

SCHEMBL29779649

CCc1ccc(Sc2ccc(Cl)cc2O)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.42
HPGD P15428 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
CYP3A4 P08684 2/20 0.42
HSD17B10 Q99714 2/20 0.42
PLA2G1B P04054 1/20 0.42
HSP90AA1 P07900 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
CYP2C19 P33261 1/20 0.42
HTT P42858 1/20 0.42
HIF1A Q16665 1/20 0.42
ATG4B Q9Y4P1 1/20 0.42
LMNA P02545 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MAPT P10636 1/20 0.40
NPSR1 Q6W5P4 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
SCHEMBL28593438 1.00 ALDH1A1 (0.42) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL11757959 0.84 MEN1 (0.53) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL28588713 0.81 HPGD (0.46) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL11658647 0.81 MEN1 (0.50) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL28424052 0.78 PDE7A (0.54) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL29465671 0.78 PDE7A (0.54) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL28421620 0.77 LMNA (0.43) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL10540494 0.76 HPGD (0.67) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL2860936 0.73 TRPA1 (0.46) ALDH1A1HPGDMEN1KMT2ACYP3A4
SCHEMBL11092961 0.72 TRPA1 (0.57) ALDH1A1HSD17B10ALOX15HTTKDM4E

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-113083349-B Preparation method and application of SBA-15 modified by nano Cu simple substance 三峡大学 2022-07-15 CN disclosed