SCHEMBL8033795

SCHEMBL8033795

CC(C(=O)O)c1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2ccccc2OCC(=O)N(C)c2cccc(Cl)c2)c1

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.40
CASR P41180 1/20 0.38
BDKRB2 P30411 2/20 0.38
RORC P51449 4/20 0.37
OPRM1 P35372 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HPGD P15428 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
NTSR1 P30989 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
NOD2 Q9HC29 1/20 0.35
PPIA P62937 1/20 0.35
PYGL P06737 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
SCHEMBL8031966 0.92 BDKRB2 (0.37) CASRBDKRB2RORCKMT2AMEN1
SCHEMBL8020731 0.91 CASR (0.39) ALDH1A1CASRBDKRB2RORCOPRM1
SCHEMBL8020538 0.91 KMT2A (0.35) CASRBDKRB2RORCKMT2AMEN1
SCHEMBL27475958 0.91 CASR (0.39) ALDH1A1CASRBDKRB2RORCOPRM1
SCHEMBL8030124 0.91 CASR (0.43) ALDH1A1CASRBDKRB2KMT2AMEN1
SCHEMBL8030356 0.90 NOTUM (0.36) CASRBDKRB2RORCKMT2AMEN1
SCHEMBL8030238 0.90 RORC (0.36) CASRBDKRB2RORCKMT2AMEN1
SCHEMBL8020962 0.90 CASR (0.37) ALDH1A1CASRBDKRB2RORCKMT2A
SCHEMBL8030577 0.90 NOTUM (0.36) CASRBDKRB2RORCKMT2AMEN1
SCHEMBL8036326 0.90 CACNA1H (0.38) ALDH1A1CASRBDKRB2RORCOPRM1

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