SCHEMBL28569273

SCHEMBL28569273

c1ccc2c(c1)c1ccccc1c1cc3c(cc21)c1ccccc1c1cc2c4ccccc4c4ccccc4c2cc13

nearest known ligand 0.47

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HPRT1 P00492 3/20 0.47
ALDH1A1 P00352 5/20 0.44
HSD17B10 Q99714 4/20 0.44
CYP2A6 P11509 2/20 0.44
TSHR P16473 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TRPM4 Q8TD43 1/20 0.43
CYP1A2 P05177 3/20 0.42
HIF1A Q16665 1/20 0.42
CYP1B1 Q16678 1/20 0.42
THRB P10828 1/20 0.42
HPGD P15428 1/20 0.42
IDO1 P14902 1/20 0.41
GPR3 P46089 3/20 0.39
AHR P35869 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MAPK1 P28482 1/20 0.37
SMN1; SMN2 Q16637 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
SCHEMBL598133 1.00 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL7638577 1.00 HPRT1 (0.47) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL5482727 0.86 HSD17B10 (0.55) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL415471 0.86 ALDH1A1 (0.55) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Triphenylene SCHEMBL25597 0.85 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL30977781 0.85 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Triphenylene SCHEMBL311118 0.85 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL31467394 0.85 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
SCHEMBL1006251 0.85 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR
Triphenylene SCHEMBL29363356 0.85 HPRT1 (0.57) HPRT1ALDH1A1HSD17B10CYP2A6TSHR

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-108424745-B Active energy ray-polymerizable resin composition, adhesive, coating agent, laminate, and use of laminate 东洋油墨SC控股株式会社 2021-06-15 CN disclosed