SCHEMBL24969668

SCHEMBL24969668

CC1(C)c2cccc(-c3ccccc3)c2-c2cccc(Nc3ccc(-c4ccc5ccccc5c4)cc3)c21

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HSD17B1 P14061 1/20 0.37
▸ HSD17B2 P37059 1/20 0.37
▸ PLAU P00749 3/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ HPGD P15428 1/20 0.35
▸ HSD17B10 Q99714 1/20 0.35
▸ LPL P06858 1/20 0.34
▸ LIPG Q9Y5X9 1/20 0.34
▸ FABP3 P05413 1/20 0.34
▸ FABP4 P15090 1/20 0.34
▸ FABP5 Q01469 1/20 0.34
▸ SIRT2 Q8IXJ6 2/20 0.33
▸ MAPT P10636 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CSNK2A1 P68400 1/20 0.33
▸ MAPK13 O15264 1/20 0.33
▸ MAPK12 P53778 1/20 0.33
▸ MAPK11 Q15759 1/20 0.33
▸ MAPK14 Q16539 1/20 0.33

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
SCHEMBL24968683 0.91 MAPK13 (0.38) ALDH1A1CYP3A4HPGDHSD17B10FABP3
SCHEMBL24969194 0.85 MAPT (0.40) ALDH1A1CYP3A4HPGDHSD17B10FABP3
SCHEMBL23821220 0.83 LPL (0.37) HSD17B1HSD17B2PLAUALDH1A1CYP3A4
SCHEMBL24969307 0.82 MAPK13 (0.38) SIRT2MAPTMAPK13MAPK12MAPK11
SCHEMBL22182273 0.81 ALDH1A1 (0.42) HSD17B1HSD17B2PLAUALDH1A1CYP3A4
SCHEMBL24969305 0.79 PDK2 (0.36) HSD17B1HSD17B2PLAUALDH1A1CYP3A4
SCHEMBL24969211 0.79 FABP4 (0.43) FABP3FABP4FABP5
SCHEMBL15892495 0.79 AKR1C3 (0.39) ALDH1A1CYP3A4HPGDHSD17B10SIRT2
SCHEMBL30076012 0.79 AKR1C3 (0.39) ALDH1A1CYP3A4HPGDHSD17B10SIRT2
SCHEMBL24949950 0.79 ALDH1A1 (0.49) HSD17B1HSD17B2ALDH1A1CYP3A4HPGD

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
WO-2023003234-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE THEREOF 덕산네오룩스 주식회사 2023-01-26 — — WO disclosed
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