SCHEMBL8539775

SCHEMBL8539775

CCOC(=O)c1c(-c2ccccc2)c2cc(O)ccc2n1Cc1cc2c(cc1Cl)OCO2

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.51
MAPT P10636 5/20 0.51
SMN1; SMN2 Q16637 4/20 0.51
HPGD P15428 3/20 0.51
GAA P10253 3/20 0.48
KDM4E B2RXH2 3/20 0.48
PKM P14618 3/20 0.48
EDNRB P24530 9/20 0.47
EDNRA P25101 8/20 0.47
ALDH1A1 P00352 2/20 0.46
KMT2A Q03164 3/20 0.45
MAPK1 P28482 3/20 0.44
ALOX15 P16050 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HTT P42858 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 1/20 0.41
ALOX12 P18054 1/20 0.41

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
SCHEMBL8616220 0.93 MAPT (0.51) LMNAMAPTSMN1; SMN2HPGDGAA
SCHEMBL8546889 0.92 LMNA (0.51) LMNAMAPTSMN1; SMN2HPGDGAA
SCHEMBL8543272 0.88 EDNRB (0.60) EDNRBEDNRAKMT2A
SCHEMBL8546146 0.88 EDNRB (0.58) EDNRBEDNRAKMT2A
SCHEMBL8856544 0.85 EDNRB (0.60) EDNRBEDNRA
SCHEMBL8545376 0.84 EDNRB (0.59) EDNRBEDNRA
SCHEMBL8545381 0.81 EDNRA (0.53) EDNRBEDNRA
SCHEMBL8856909 0.80 ELANE (0.48) LMNAMAPTSMN1; SMN2HPGDGAA
SCHEMBL8543832 0.79 ELANE (0.44) LMNAMAPTSMN1; SMN2HPGDGAA
SCHEMBL8590639 0.79 EDNRA (0.64) EDNRBEDNRA

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800389-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP disclosed
US-5684032-A ANTIINFLAMMATORY AGENTS, ANTIARTHRITIC, ANTIASTHMATIC AGENTS AND RESPIRATORY DISORDERS SMITHKLINE BEECHAM CORPORATION (US) 1997-11-04 US disclosed
EP-0800389-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP disclosed
WO-1996018393-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-20 WO disclosed