SCHEMBL8030636

SCHEMBL8030636

CN(C(=O)COc1ccccc1N(CC1CCC1)C(=O)CNC(=O)Nc1cccc(CC(=O)O)c1)c1cccc(Cl)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.38
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 2/20 0.38
BDKRB2 P30411 3/20 0.38
MEN1 O00255 4/20 0.37
KMT2A Q03164 4/20 0.37
MAPT P10636 2/20 0.37
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
GAA P10253 1/20 0.37
TP53 P04637 2/20 0.36
HTT P42858 2/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PPIA P62937 2/20 0.36
POLB P06746 1/20 0.36
PTGIR P43119 1/20 0.35
HPGD P15428 1/20 0.34
ADRB2 P07550 1/20 0.34
ADRB3 P13945 1/20 0.34

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
SCHEMBL8033912 0.98 EPHX2 (0.41) EPHX1EPHX2ALDH1A1BDKRB2MEN1
SCHEMBL8030235 0.98 EPHX2 (0.41) EPHX1EPHX2ALDH1A1BDKRB2MEN1
SCHEMBL8031812 0.94 KMT2A (0.42) BDKRB2MEN1KMT2AGAAHTT
SCHEMBL8034130 0.93 KMT2A (0.42) EPHX1EPHX2MEN1KMT2AGAA
SCHEMBL8020763 0.92 EPHX1 (0.39) EPHX1EPHX2ALDH1A1BDKRB2MEN1
SCHEMBL8020796 0.92 KMT2A (0.41) EPHX1EPHX2MEN1KMT2AMAPT
SCHEMBL8036083 0.92 KMT2A (0.41) EPHX1EPHX2MEN1KMT2AMAPT
SCHEMBL8034153 0.92 EPHX2 (0.41) EPHX1EPHX2ALDH1A1BDKRB2MEN1
SCHEMBL8036229 0.92 EPHX2 (0.41) EPHX1EPHX2ALDH1A1BDKRB2MEN1
SCHEMBL8033897 0.91 KMT2A (0.43) BDKRB2MEN1KMT2AGAAHTT

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
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed
CN-1178523-A Aminophenol derivatives DIICHI PHARMACEUTICAL CO LTD (JP) 1998-04-08 CN disclosed