SCHEMBL24969752

SCHEMBL24969752

CC1(C)c2ccc(-c3ccccc3)cc2-c2c(-c3ccccc3-c3ccc(Nc4ccc5ccccc5c4)cc3)cccc21

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.43
▸ CYP3A4 P08684 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ MAPT P10636 4/20 0.36
▸ PLAU P00749 4/20 0.34
▸ KDM4E B2RXH2 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ KDR P35968 1/20 0.33
▸ HSD17B1 P14061 1/20 0.33
▸ HSD17B2 P37059 1/20 0.33
▸ PDK2 Q15119 1/20 0.32
▸ SNCA P37840 1/20 0.32
▸ CYP26A1 O43174 2/20 0.31
▸ SLC1A3 P43003 1/20 0.31
▸ SLC1A2 P43004 1/20 0.31
▸ SLC1A1 P43005 1/20 0.31
▸ STK10 O94804 1/20 0.31
▸ SLK Q9H2G2 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
SCHEMBL25125371 0.86 ADORA2A (0.34) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL17759563 0.83 ALDH1A1 (0.39) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL22182273 0.83 ALDH1A1 (0.42) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL27184947 0.82 ALDH1A1 (0.45) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL30785104 0.82 ALDH1A1 (0.45) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL17759560 0.81 ALDH1A1 (0.43) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL13367362 0.80 ALDH1A1 (0.49) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL20618664 0.80 ALDH1A1 (0.45) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL25124801 0.80 ALDH1A1 (0.41) ALDH1A1CYP3A4HPGDHSD17B10MAPT
SCHEMBL23765166 0.80 STK10 (0.39) ALDH1A1CYP3A4HPGDHSD17B10MAPT

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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