SCHEMBL28626455

SCHEMBL28626455

CCc1cccc(O)c1NCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.50
ALOX12 P18054 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
PKM P14618 1/20 0.49
HTT P42858 2/20 0.47
MPO P05164 3/20 0.46
HDAC8 Q9BY41 1/20 0.43
CLCN2 P51788 1/20 0.43
IDO1 P14902 1/20 0.42
GABRA1 P14867 1/20 0.42
GABRB2 P47870 1/20 0.42
PTGS2 P35354 1/20 0.42
POLB P06746 2/20 0.42
MAPK1 P28482 1/20 0.42
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
PPIA P62937 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
SCHEMBL11509365 0.84 IDO1 (0.52) ALDH1A1ALOX12PKMHTTMPO
SCHEMBL10620298 0.82 BID (0.52) HTTMPO
SCHEMBL5839823 0.80 CRHR1 (0.48) ALDH1A1ALOX12SMN1; SMN2PKMHTT
SCHEMBL10525632 0.78 IDO1 (0.58) ALDH1A1ALOX12PKMHTTMPO
SCHEMBL6885169 0.77 GABRA1 (0.47) ALDH1A1PKMCLCN2IDO1GABRA1
SCHEMBL7773986 0.76 CXCR2 (0.55) HTTCLCN2GABRA1GABRB2PTGS2
SCHEMBL11413705 0.74 GABRA1 (0.52) ALDH1A1PKMCLCN2GABRA1GABRB2
SCHEMBL893345 0.73 HSD17B10 (0.60) ALDH1A1HTTHDAC8IDO1POLB
SCHEMBL28263503 0.72 IDO1 (0.41) ALDH1A1ALOX12PKMMPOIDO1
SCHEMBL28843711 0.72 HSD17B10 (0.50) ALDH1A1ALOX12IDO1POLBPPIA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109134281-B Method for synthesizing m-dialkylaminophenol 浙江山峪科技股份有限公司 2021-10-08 CN disclosed
CN-109020827-B Method for synthesizing m-dialkylaminophenol 浙江山峪集团股份有限公司 2021-04-27 CN disclosed