SCHEMBL29923675

SCHEMBL29923675

CCCc1ccc(-c2ccccc2CCC)c(CCC)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 3/20 0.50
▸ CNR1 P21554 1/20 0.46
▸ CNR2 P34972 1/20 0.46
▸ ALOX5 P09917 2/20 0.44
▸ CSNK2A2 P19784 1/20 0.42
▸ CSNK2B P67870 1/20 0.42
▸ CSNK2A1 P68400 1/20 0.42
▸ CSNK2A3 Q8NEV1 1/20 0.42
▸ GPR3 P46089 1/20 0.41
▸ VDR P11473 1/20 0.40
▸ NPC1 O15118 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ GABRA1 P14867 3/20 0.38
▸ GABRB2 P47870 3/20 0.38

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
SCHEMBL6704515 0.83 PPARA (0.41) PDK2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL7933610 0.79 CNR1 (0.57) PDK2CNR1CNR2ALOX5GPR3
SCHEMBL9024571 0.79 GPR3 (0.55) PDK2GPR3NPC1MAPTMAPK1
SCHEMBL15238788 0.78 PPARA (0.50) PDK2ALOX5PPARALPLLIPG
SCHEMBL15238829 0.78 HTR7 (0.50) PDK2CNR1CNR2ALOX5GABRA1
SCHEMBL10345395 0.78 CNR1 (0.47) PDK2CNR1CNR2ALOX5CSNK2A2
SCHEMBL9446106 0.77 GPR3 (0.50) PDK2GPR3LPLLIPG
SCHEMBL9740304 0.74 CNR1 (0.50) CNR1CNR2ALOX5GABRA1GABRB2
SCHEMBL9006040 0.74 PTPRC (0.52) PDK2CSNK2A2CSNK2BCSNK2A1CSNK2A3
SCHEMBL28716082 0.74 CSNK2A2 (0.44) PDK2CNR1CNR2ALOX5CSNK2A2

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-2022149519-A1 COMPOSITION FOR ORGANIC ELECTROLUMINESCENT ELEMENT, ORGANIC ELECTROLUMINESCENT ELEMENT, DISPLAY DEVICE, AND ILLUMINATOR 三菱ケミカル株式会社 2022-07-14 — — WO disclosed
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