SCHEMBL8030240

SCHEMBL8030240

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CCC2CCCC2)c2ccccc2OCC(=O)N(C)c2c(F)cccc2F)c1

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.34
CCKBR P32239 2/20 0.34
HTR2A P28223 3/20 0.34
KMT2A Q03164 2/20 0.34
MEN1 O00255 1/20 0.34
PKM P14618 1/20 0.33
MAPK1 P28482 1/20 0.33
RAB9A P51151 1/20 0.33
CCR3 P51677 3/20 0.33
ROCK2 O75116 2/20 0.33
PRKACA P17612 1/20 0.33
PRKACG P22612 1/20 0.33
PRKACB P22694 1/20 0.33
LIMK1 P53667 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
BDKRB2 P30411 3/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL8033867 0.99 CASR (0.35) CASRCCKBRHTR2AKMT2AMEN1
SCHEMBL8030306 0.94 CNR1 (0.35) CASRCCKBRHTR2AKMT2AMEN1
SCHEMBL8030228 0.94 KMT2A (0.34) CCKBRHTR2AKMT2AMEN1PKM
SCHEMBL8033889 0.93 CNR1 (0.37) CASRCCKBRHTR2AKMT2AMEN1
SCHEMBL8031951 0.93 HTR2A (0.34) CCKBRHTR2AKMT2AMEN1PKM
SCHEMBL8034117 0.91 KMT2A (0.35) CASRCCKBRHTR2AKMT2AMEN1
SCHEMBL8033899 0.90 KMT2A (0.34) CASRCCKBRHTR2AKMT2AMEN1
SCHEMBL8034107 0.89 CASR (0.46) CASRCCKBRHTR2AKMT2AMEN1
SCHEMBL8036711 0.88 CASR (0.34) CASRHTR2ACCR3ROCK2CA12
SCHEMBL8030371 0.88 CASR (0.48) CASRCCKBRHTR2AKMT2AMEN1

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
EP-0985660-A1 AMINOPHENOL DERIVATIVES DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2000-03-15 EP disclosed