SCHEMBL13588209

SCHEMBL13588209

C=C(C)C(=O)Oc1cc(C(C)=O)cc2ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.51
▸ HPGD P15428 2/20 0.51
▸ MAPT P10636 1/20 0.51
▸ ELANE P08246 1/20 0.44
▸ HSD17B10 Q99714 3/20 0.39
▸ PGR P06401 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ PTGS1 P23219 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ SIRT5 Q9NXA8 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ NCEH1 Q6PIU2 1/20 0.38
▸ RAB9A P51151 3/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ TSHR P16473 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SLC22A6 Q4U2R8 1/20 0.36
▸ PTGES O14684 1/20 0.35
▸ ALOX5 P09917 1/20 0.35

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
SCHEMBL11982346 0.90 ELANE (0.47) ALDH1A1HPGDMAPTELANEHSD17B10
SCHEMBL13588243 0.84 ALDH1A1 (0.54) ALDH1A1HPGDMAPTELANEHSD17B10
SCHEMBL10040371 0.83 NQO2 (0.44) ALDH1A1HPGDMAPTELANEHSD17B10
SCHEMBL13588240 0.83 CYP1A2 (0.44) ALDH1A1HPGDMAPTELANEHSD17B10
SCHEMBL13374671 0.83 GPR84 (0.49) ALDH1A1HPGDMAPTELANEHSD17B10
SCHEMBL29373404 0.79 ALDH1A1 (0.60) ALDH1A1HPGDELANEHSD17B10PGR
SCHEMBL67480 0.79 ALDH1A1 (0.60) ALDH1A1HPGDELANEHSD17B10PGR
SCHEMBL22503277 0.78 MCL1 (0.43) ALDH1A1HPGDMAPTELANEHSD17B10
SCHEMBL417333 0.78 ELANE (0.45) ALDH1A1HPGDMAPTELANEHSD17B10
SCHEMBL11963918 0.77 ELANE (0.40) ALDH1A1HPGDMAPTELANEHSD17B10

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7629106-B2 Resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2009-12-08 — — US disclosed
US-7449277-B2 Positive resist compositions and patterning process SHIN-ETSU CHEMICAL C., LTD (JP) 2008-11-11 — — US disclosed
US-20070111140-A1 Resist composition and patterning process using the same SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-05-17 — — US disclosed
US-20070072115-A1 Positive resist compositions and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2007-03-29 — — US disclosed
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