SCHEMBL28626296

SCHEMBL28626296

Cc1cccc(O)c1NC1CCCCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX12 P18054 2/20 0.54
EPHX1 P07099 1/20 0.54
LMNA P02545 4/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
IDO1 P14902 1/20 0.45
GAA P10253 2/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
PPIA P62937 1/20 0.42
KDM4E B2RXH2 3/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
HTT P42858 1/20 0.41
CXCR2 P25025 2/20 0.41
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALOX5 P09917 1/20 0.40
ELANE P08246 1/20 0.40

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
SCHEMBL22429117 0.87 ALOX12 (0.57) ALOX12EPHX1LMNAGAARAB9A
SCHEMBL6884900 0.79 KMT2A (0.47) EPHX1LMNAMEN1KMT2ATDP1
SCHEMBL28332795 0.77 ALOX12 (0.44) ALOX12EPHX1LMNAMEN1KMT2A
SCHEMBL28648810 0.76 IDO1 (0.40) ALOX12EPHX1LMNAMEN1KMT2A
SCHEMBL7694285 0.73 ALOX12 (0.42) ALOX12EPHX1LMNAKMT2AGAA
SCHEMBL27849930 0.71 GAA (0.62) ALOX12EPHX1LMNAIDO1GAA
Ethane SCHEMBL27581278 0.71 TRPA1 (0.63) ALOX12EPHX1LMNATDP1GAA
SCHEMBL23016004 0.71 GAA (0.61) ALOX12LMNAKMT2AIDO1GAA
SCHEMBL7634561 0.71 GAA (0.61) ALOX12LMNAKMT2AIDO1GAA
SCHEMBL3477004 0.71 IDO1 (0.64) LMNAMEN1KMT2ATDP1IDO1

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