SCHEMBL29583333

SCHEMBL29583333

Cc1ccc(Pc2ccc3ccccc3c2-c2c(Pc3ccc(C)cc3)ccc3ccccc23)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.39
RAB9A P51151 3/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
HSD17B10 Q99714 2/20 0.39
MAPT P10636 1/20 0.39
CYP3A4 P08684 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
CASP1 P29466 1/20 0.39
CASP7 P55210 1/20 0.39
ATM Q13315 1/20 0.39
HIF1A Q16665 1/20 0.39
CYP2A6 P11509 6/20 0.38
CYP1A2 P05177 2/20 0.38
NPC1 O15118 2/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
ALDH1A1 P00352 2/20 0.38
TDP1 Q9NUW8 2/20 0.38
HPRT1 P00492 1/20 0.35

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
SCHEMBL2079041 1.00 TSHR (0.39) TSHRRAB9AL3MBTL1HSD17B10MAPT
Hydrochloric Acid SCHEMBL7943424 0.97 RAB9A (0.40) TSHRRAB9AL3MBTL1HSD17B10MAPT
Hydrochloric Acid SCHEMBL7943427 0.97 TSHR (0.37) TSHRRAB9AL3MBTL1HSD17B10MAPT
SCHEMBL7943430 0.94 TSHR (0.35) TSHRRAB9AL3MBTL1HSD17B10MAPT
SCHEMBL10434030 0.89 DHFR (0.40) TSHRRAB9AL3MBTL1HSD17B10MAPT
SCHEMBL2824075 0.85 HSD17B10 (0.44) TSHRRAB9AL3MBTL1HSD17B10MAPT
SCHEMBL29489771 0.85 HSD17B10 (0.44) TSHRRAB9AL3MBTL1HSD17B10MAPT
SCHEMBL29489770 0.85 HSD17B10 (0.44) TSHRRAB9AL3MBTL1HSD17B10MAPT
SCHEMBL301064 0.84 CYP2A6 (0.40) TSHRRAB9AL3MBTL1HSD17B10MAPT
SCHEMBL5401678 0.81 CYP2A6 (0.43) TSHRRAB9AL3MBTL1HSD17B10CYP3A4

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022124005-A1 CURABLE COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, THERMALLY CONDUCTIVE SHEET, AND DEVICE WITH THERMALLY CONDUCTIVE LAYER 富士フイルム株式会社 2022-06-16 WO disclosed
WO-2022080078-A1 CURABLE COMPOSITION, THERMALLY CONDUCTIVE MATERIAL, THERMALLY CONDUCTIVE SHEET, AND DEVICE WITH THERMALLY CONDUCTIVE LAYER 富士フイルム株式会社 2022-04-21 WO disclosed