SCHEMBL22645256

SCHEMBL22645256

O=C(c1ccccc1)c1cccc2c1oc1ccccc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 4/20 0.51
▸ NPC1 O15118 3/20 0.51
▸ KMT2A Q03164 2/20 0.51
▸ ALOX5 P09917 1/20 0.49
▸ AKR1C3 P42330 1/20 0.47
▸ TSHR P16473 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ PTPN1 P18031 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC8 Q9BY41 1/20 0.44
▸ HDAC6 Q9UBN7 1/20 0.44
▸ MAOA P21397 3/20 0.43
▸ MAOB P27338 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ RAB9A P51151 2/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ SLC22A12 Q96S37 1/20 0.42
▸ EYA3 Q99504 1/20 0.42

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
SCHEMBL783749 0.84 NR4A1 (0.50) ALOX5ALDH1A1PTPN1MAOAMAOB
SCHEMBL22146818 0.82 ALOX5 (0.52) MAPTNPC1KMT2AALOX5TSHR
SCHEMBL22645255 0.81 MAPT (0.53) MAPTNPC1KMT2AAKR1C3TSHR
SCHEMBL516118 0.80 ALOX5 (0.52) MAPTALOX5ALDH1A1GAAHDAC1
SCHEMBL371291 0.80 GABRP (0.46) MAPTNPC1KMT2AALOX5PTPN1
SCHEMBL17036994 0.80 HDAC1 (0.43) MAPTNPC1KMT2AALOX5ALDH1A1
SCHEMBL7815593 0.80 NPSR1 (0.47) KMT2AALOX5ALDH1A1GAAHDAC1
SCHEMBL4586057 0.79 ALOX5 (0.48) MAPTNPC1KMT2AALOX5ALDH1A1
SCHEMBL14825579 0.79 ALOX5 (0.48) MAPTNPC1KMT2AALOX5ALDH1A1
SCHEMBL28084237 0.79 ALDH1A1 (0.59) MAPTNPC1KMT2AALOX5TSHR

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
US-10836723-B2 Method for synthesizing sodium 2,2,6,6-tetramethylpiperidides KOBELCO ECO-SOLUTIONS CO., LTD. (JP) 2020-11-17 — — US disclosed
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