SCHEMBL8020871

SCHEMBL8020871

Cc1cc(C)cc(N(C)C(=O)COc2ccccc2N(CCC2CCCC2)C(=O)CNC(=O)Nc2cccc(CC(=O)O)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.35
CNR2 P34972 1/20 0.35
MEN1 O00255 1/20 0.34
GAA P10253 1/20 0.34
KMT2A Q03164 1/20 0.34
BDKRB2 P30411 7/20 0.34
HTR2A P28223 2/20 0.34
CCR3 P51677 2/20 0.33
CASR P41180 1/20 0.33
CCKBR P32239 1/20 0.33
RORC P51449 1/20 0.33
HPSE Q9Y251 1/20 0.33
EPHX1 P07099 1/20 0.33

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
SCHEMBL8030482 0.99 CNR1 (0.37) CNR1CNR2MEN1GAAKMT2A
SCHEMBL8020918 0.94 KMT2A (0.39) CNR1CNR2MEN1GAAKMT2A
SCHEMBL8036711 0.93 CASR (0.34) BDKRB2HTR2ACCR3CASREPHX1
SCHEMBL8029560 0.93 MEN1 (0.36) CNR1CNR2MEN1GAAKMT2A
SCHEMBL8020921 0.92 ACHE (0.35) CNR1CNR2MEN1GAAKMT2A
SCHEMBL8030430 0.92 MEN1 (0.36) CNR1CNR2MEN1GAAKMT2A
SCHEMBL8030169 0.92 CNR1 (0.36) CNR1CNR2MEN1GAAKMT2A
SCHEMBL8036078 0.90 TP53 (0.33) MEN1GAAKMT2ABDKRB2HPSE
SCHEMBL8020763 0.90 EPHX1 (0.39) CNR1CNR2MEN1GAAKMT2A
SCHEMBL8020773 0.90 KMT2A (0.37) CNR1CNR2MEN1GAAKMT2A

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