SCHEMBL8538467

SCHEMBL8538467

O=C(O)C(Oc1ccccc1)c1cc(O)c(SCCc2ccccc2)c(=O)o1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 10/20 0.37
PPARA Q07869 10/20 0.37
PTGS2 P35354 1/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM6B O15054 1/20 0.36
KDM4A O75164 1/20 0.36
KDM4D Q6B0I6 1/20 0.36
KDM3B Q7LBC6 1/20 0.36
HIF1AN Q9NWT6 1/20 0.36
KDM5B Q9UGL1 1/20 0.36
KDM2A Q9Y2K7 1/20 0.36
GPR84 Q9NQS5 1/20 0.34
PTPN1 P18031 1/20 0.34
GAA P10253 1/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 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
SCHEMBL8535732 0.88 KDM4E (0.39) PTGS2KDM4EALDH1A1GAAHPGD
SCHEMBL8535968 0.83 NPC1 (0.37) PPARGPPARAPTGS2KDM6BKDM4A
SCHEMBL8336040 0.82 KDM6B (0.30) PTGS2KDM6BKDM4AKDM4DKDM3B
SCHEMBL8538590 0.81 ALDH1A1 (0.38) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL8534397 0.78 PPARG (0.34) PPARGPPARAPTGS2KDM4EALDH1A1
SCHEMBL8538683 0.75 KMT2A (0.39) PTGS2KDM4EGPR84PTPN1HPGD
SCHEMBL8539942 0.75 MEN1 (0.34) PPARGPPARAKDM4EALDH1A1GAA
SCHEMBL7375775 0.74 HTR2B (0.50) PPARGPTGS2GPR84CA12CA1
SCHEMBL11787842 0.74 ALDH1A1 (0.45) PTGS2KDM4EALDH1A1GPR84GAA
SCHEMBL6957097 0.74 CYSLTR1 (0.41) GPR84PTPN1L3MBTL1

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
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US claimed
US-5808062-A AIDS THERAPY WARNER-LAMBERT COMPANY (US) 1998-09-15 US disclosed