SCHEMBL8546149

SCHEMBL8546149

CC(C)(C)c1ccc(COc2ccc3[nH]c(C(=O)O)c(-c4ccccc4)c3c2Cc2cc3c(cc2Cl)OCO3)cc1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN5 P54829 1/20 0.35
CASP6 P55212 1/20 0.35
PTPN11 Q06124 1/20 0.35
CTDSP1 Q9GZU7 1/20 0.35
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL8546899 0.92 MRGPRX4 (0.41)
SCHEMBL8545082 0.91 CHEK2 (0.36) RXRARXRBRXRGKDM4EMAPT
SCHEMBL8543816 0.90 EDNRB (0.42)
SCHEMBL8543925 0.90 PDE5A (0.41) L3MBTL1
SCHEMBL8541997 0.87 EDNRB (0.44) KDM4E
SCHEMBL8540186 0.87 GPR17 (0.40)
SCHEMBL8545084 0.87 S1PR1 (0.42)
SCHEMBL8540287 0.86 MRGPRX4 (0.41) KDM4E
SCHEMBL8546131 0.86 KDM4E (0.38) KDM4EMAPTDUSP3PTPN5CASP6
SCHEMBL8545962 0.85 PTGER1 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0800389-A4 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORP (US) 1998-04-29 EP claimed
EP-0800389-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1997-10-15 EP claimed
WO-1996018393-A1 NOVEL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1996-06-20 WO claimed