SCHEMBL27395453

SCHEMBL27395453

CC1(C)CC(C)(C)c2c(-c3ccc(Nc4ccc(-c5ccccc5)cc4)cc3)cccc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ STK10 O94804 1/20 0.36
▸ SLK Q9H2G2 1/20 0.36
▸ ALDH1A1 P00352 4/20 0.34
▸ ALOX15 P16050 3/20 0.34
▸ ALOX12 P18054 3/20 0.34
▸ L3MBTL1 Q9Y468 3/20 0.34
▸ HSD17B10 Q99714 3/20 0.34
▸ PTGS2 P35354 2/20 0.34
▸ SLC6A2 P23975 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ PTGS1 P23219 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PDK2 Q15119 1/20 0.34
▸ MEN1 O00255 2/20 0.33
▸ MAPT P10636 2/20 0.33
▸ KMT2A Q03164 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HPGD P15428 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
SCHEMBL27395454 0.84 PDK2 (0.40) ALDH1A1PDK2MEN1MAPTKMT2A
SCHEMBL24794202 0.82 RARB (0.33) ALDH1A1L3MBTL1PTGS2SLC6A2TDP1
SCHEMBL27394990 0.80 RARB (0.42) ALDH1A1PTGS2PDK2MEN1MAPT
SCHEMBL30681704 0.79 PDK2 (0.38) STK10SLKALDH1A1ALOX15ALOX12
SCHEMBL26306922 0.77 RARB (0.41) ALDH1A1ALOX15ALOX12L3MBTL1HSD17B10
SCHEMBL26306086 0.77 RARB (0.48) ALDH1A1ALOX15ALOX12L3MBTL1HSD17B10
SCHEMBL24794268 0.76 PTGS2 (0.41) PTGS2PTGS1PDK2PGRSLC6A4
SCHEMBL23765166 0.75 STK10 (0.39) STK10SLKALDH1A1ALOX15ALOX12
SCHEMBL27395156 0.74 RARB (0.45) ALDH1A1L3MBTL1TSHRTDP1PDK2
SCHEMBL23421819 0.74 RARB (0.45) ALDH1A1HSD17B10PTGS2SLC6A2TDP1

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-2024096578-A1 COMPOUND FOR ORGANIC ELECTRIC ELEMENT, ORGANIC ELECTRIC ELEMENT USING SAME, AND ELECTRONIC DEVICE HAVING SAME 덕산네오룩스 주식회사 2024-05-10 — — WO disclosed
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