SCHEMBL8031928

SCHEMBL8031928

CC(C(=O)O)c1cccc(NC(=O)NCC(=O)N(CC(=O)N(C)c2ccccc2)c2cccc(OCC(=O)N(C)c3cc(Cl)cc(Cl)c3)c2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
LMNA P02545 1/20 0.36
CASR P41180 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
RORC P51449 4/20 0.35
HTT P42858 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
RAB9A P51151 1/20 0.35
MLYCD O95822 1/20 0.34
MAPK1 P28482 1/20 0.34
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
NOD2 Q9HC29 1/20 0.34
OPRM1 P35372 1/20 0.33
PTGS1 P23219 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
SCHEMBL8020554 0.95 ALDH1A1 (0.39) ALDH1A1L3MBTL1LMNACASRKMT2A
SCHEMBL8030648 0.92 KMT2A (0.36) ALDH1A1L3MBTL1CASRKMT2AMEN1
SCHEMBL8020948 0.91 MLYCD (0.36) L3MBTL1LMNACASRKMT2AMEN1
SCHEMBL8036625 0.91 CASR (0.44) ALDH1A1CASRKMT2AMEN1HTT
SCHEMBL8031895 0.90 KMT2A (0.36) ALDH1A1L3MBTL1CASRKMT2AMEN1
SCHEMBL8031923 0.90 MAPK1 (0.39) L3MBTL1LMNACASRKMT2AMEN1
SCHEMBL8020737 0.90 HSD17B10 (0.37) ALDH1A1L3MBTL1CASRKMT2AMEN1
SCHEMBL8031781 0.89 KMT2A (0.35) ALDH1A1L3MBTL1CASRKMT2AMEN1
SCHEMBL8033754 0.88 KMT2A (0.35) ALDH1A1L3MBTL1CASRKMT2AMEN1
SCHEMBL8032043 0.88 CASR (0.39) ALDH1A1CASRKMT2AMEN1HTT

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