SCHEMBL8534397

SCHEMBL8534397

O=C(O)C(Oc1ccccc1)c1oc(=O)c(SCCc2ccccc2)c(O)c1CO

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PPARG P37231 12/20 0.34
PPARA Q07869 12/20 0.34
PTGS2 P35354 1/20 0.33
KDM6B O15054 1/20 0.33
KDM4A O75164 1/20 0.33
KDM4D Q6B0I6 1/20 0.33
KDM3B Q7LBC6 1/20 0.33
HIF1AN Q9NWT6 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
KDM2A Q9Y2K7 1/20 0.33
PTPN1 P18031 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31

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
SCHEMBL8538467 0.78 PPARG (0.37) PPARGPPARAPTGS2KDM6BKDM4A
SCHEMBL8534402 0.76 CYP19A1 (0.36) PTGS2PTPN1KDM4EALDH1A1
SCHEMBL6964782 0.72 PPARD (0.40) PPARGPPARAPTPN1KDM4EALDH1A1
SCHEMBL8535968 0.67 NPC1 (0.37) PPARGPPARAPTGS2KDM6BKDM4A
SCHEMBL7378712 0.64 ABCG2 (0.46) KDM4EALDH1A1
SCHEMBL8538683 0.63 KMT2A (0.39) PTGS2PTPN1KDM4E
SCHEMBL8538469 0.62 ALOX5 (0.38) PTGS2KDM6BKDM4AKDM4DKDM3B
SCHEMBL8538590 0.62 ALDH1A1 (0.38) PPARGPPARAKDM4EALDH1A1
SCHEMBL6955483 0.61 ABCB1 (0.48)
SCHEMBL7375775 0.61 HTR2B (0.50) PPARGPTGS2

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