SCHEMBL28501698

SCHEMBL28501698

CC(O)c1ccc2coccc1-2

nearest known ligand 0.35

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LPL P06858 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
CYP3A4 P08684 1/20 0.34
IMPDH2 P12268 2/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
TRPA1 O75762 1/20 0.32
GPR84 Q9NQS5 1/20 0.31
PELI1 Q96FA3 2/20 0.31
ALOX5 P09917 1/20 0.31
ERN1 O75460 1/20 0.31
PTPN2 P17706 1/20 0.31
PTPN1 P18031 1/20 0.31
DUSP3 P51452 1/20 0.31
PTGS1 P23219 1/20 0.31
PTGS2 P35354 1/20 0.31

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
SCHEMBL2096773 0.81 LPL (0.35) LPLLIPGIMPDH2SLC6A4SLC6A3
SCHEMBL2094460 0.80 TRPV3 (0.33) LPLLIPGCYP3A4IMPDH2SLC6A4
SCHEMBL2092651 0.74 MEN1 (0.32) LPLLIPGCYP3A4SLC6A4SLC6A3
SCHEMBL29169870 0.71 HDAC1 (0.38)
SCHEMBL2097082 0.70
SCHEMBL3854616 0.69 ALDH1A1 (0.43) PTGS2
SCHEMBL7696358 0.69 IMPDH2 (0.38) LPLLIPGCYP3A4IMPDH2SLC6A4
SCHEMBL4148261 0.68 ERN1 (0.36) LPLLIPGCYP3A4IMPDH2PELI1
SCHEMBL3949654 0.66
SCHEMBL2090231 0.66 SLC6A4 (0.31) IMPDH2SLC6A4SLC6A3

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-109134267-B Synthetic method of aromatic amine compound 北京大学 2020-11-17 CN disclosed