SCHEMBL8030198

SCHEMBL8030198

COC(=O)Cc1cccc(NC(=O)NCC(=O)N(CCC2CCCCC2)c2ccccc2OCC(=O)N(C)c2cccc(Cl)c2)c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.40
EPHX1 P07099 2/20 0.40
ALDH1A1 P00352 2/20 0.37
BDKRB2 P30411 5/20 0.36
POLB P06746 1/20 0.35
ACHE P22303 1/20 0.34
PPIA P62937 1/20 0.33
CASR P41180 1/20 0.33
PPM1D O15297 1/20 0.33
ACKR3 P25106 1/20 0.33
GAA P10253 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
RAB9A P51151 1/20 0.33
KMT2A Q03164 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
SCHEMBL8020801 0.99 EPHX1 (0.39) EPHX2EPHX1ALDH1A1BDKRB2POLB
SCHEMBL8036229 0.94 EPHX2 (0.41) EPHX2EPHX1ALDH1A1BDKRB2POLB
SCHEMBL8034153 0.94 EPHX2 (0.41) EPHX2EPHX1ALDH1A1BDKRB2POLB
SCHEMBL8020763 0.93 EPHX1 (0.39) EPHX2EPHX1ALDH1A1BDKRB2POLB
SCHEMBL8036711 0.91 CASR (0.34) EPHX2EPHX1BDKRB2CASRNPC1
SCHEMBL8033899 0.90 KMT2A (0.34) EPHX2EPHX1ACHECASRACKR3
SCHEMBL8034117 0.89 KMT2A (0.35) BDKRB2ACHECASRGAAMEN1
SCHEMBL8020768 0.89 CASR (0.45) EPHX2EPHX1ALDH1A1BDKRB2POLB
SCHEMBL8020624 0.89 BDKRB2 (0.42) EPHX2EPHX1ALDH1A1BDKRB2POLB
SCHEMBL8036098 0.89 CASR (0.44) EPHX2EPHX1ALDH1A1BDKRB2POLB

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