SCHEMBL22182273

SCHEMBL22182273

CC1(C)c2ccccc2-c2c(-c3cccc(Nc4ccc(-c5ccc6ccccc6c5)cc4)c3)cccc21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HPGD P15428 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42
▸ CNR1 P21554 1/20 0.39
▸ STK10 O94804 1/20 0.35
▸ SLK Q9H2G2 1/20 0.35
▸ LPL P06858 1/20 0.35
▸ LIPG Q9Y5X9 1/20 0.35
▸ HSD17B1 P14061 1/20 0.35
▸ HSD17B2 P37059 1/20 0.35
▸ HDAC4 P56524 1/20 0.35
▸ HDAC2 Q92769 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35
▸ SLC6A2 P23975 1/20 0.34
▸ SLC6A4 P31645 1/20 0.34
▸ SLC6A3 Q01959 1/20 0.34
▸ PLAU P00749 4/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MEN1 O00255 1/20 0.34

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
SCHEMBL22182406 0.90 PDK2 (0.40) ALDH1A1CYP3A4HPGDHSD17B10CNR1
SCHEMBL25692238 0.87 ALDH1A1 (0.37) ALDH1A1CYP3A4HPGDHSD17B10STK10
SCHEMBL21914667 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDHSD17B10CNR1
SCHEMBL21913917 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDHSD17B10CNR1
SCHEMBL31058413 0.85 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDHSD17B10CNR1
SCHEMBL24969710 0.85 ALDH1A1 (0.35) ALDH1A1CYP3A4HPGDHSD17B10HDAC4
SCHEMBL23821220 0.84 LPL (0.37) ALDH1A1CYP3A4HPGDHSD17B10CNR1
SCHEMBL24969752 0.83 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDHSD17B10STK10
SCHEMBL31504664 0.83 ALDH1A1 (0.45) ALDH1A1CYP3A4HPGDHSD17B10LPL
SCHEMBL20618664 0.83 ALDH1A1 (0.45) ALDH1A1CYP3A4HPGDHSD17B10LPL

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-2020138837-A1 COMPOSITION, ORGANIC OPTOELECTRONIC DEVICE, AND DISPLAY DEVICE 엘티소재주식회사 2020-07-02 — — WO disclosed
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