SCHEMBL28626293

SCHEMBL28626293

CC1CCCC(Nc2ccc(O)cc2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.41
MAPT P10636 4/20 0.39
GAA P10253 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 3/20 0.39
KMT2A Q03164 2/20 0.39
HPGD P15428 2/20 0.39
RECQL P46063 2/20 0.39
KDM4E B2RXH2 1/20 0.39
MEN1 O00255 1/20 0.39
THRB P10828 1/20 0.39
ALOX12 P18054 1/20 0.39
CASP1 P29466 1/20 0.39
HSD17B10 Q99714 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PDGFRB P09619 1/20 0.38
PDGFRA P16234 1/20 0.38
ESR2 Q92731 1/20 0.38
POLB P06746 3/20 0.37
LMNA P02545 1/20 0.37

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
SCHEMBL657807 0.83 EPHX1 (0.50) EPHX1MAPTGAARAB9AALDH1A1
SCHEMBL25741035 0.82 GBA1 (0.45) EPHX1MAPTGAARAB9AALDH1A1
SCHEMBL17715732 0.82 GBA1 (0.45) EPHX1MAPTGAARAB9AALDH1A1
SCHEMBL15014493 0.82 GBA1 (0.45) EPHX1MAPTGAARAB9AALDH1A1
SCHEMBL9664516 0.81 RAPGEF4 (0.41) MAPTGAAALDH1A1KMT2AHPGD
SCHEMBL14565791 0.80 ALDH1A1 (0.49) MAPTGAARAB9AALDH1A1KMT2A
SCHEMBL9311507 0.80 S1PR1 (0.43) GAARAB9AALDH1A1KDM4EPDGFRB
SCHEMBL28067465 0.79 PDGFRB (0.38) MAPTGAAPDGFRBPDGFRAPOLB
SCHEMBL3720122 0.79 EPHX1 (0.55) EPHX1MAPTGAARAB9AALDH1A1
Cyanide SCHEMBL28172176 0.78 EPHX1 (0.46) EPHX1MAPTGAARAB9AALDH1A1

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
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