SCHEMBL8534402

SCHEMBL8534402

O=C(Cc1oc(=O)c(SCCc2ccccc2)c(O)c1CO)Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 1/20 0.36
PTGS2 P35354 1/20 0.36
KMT2A Q03164 6/20 0.34
HPGD P15428 4/20 0.34
MAPK1 P28482 3/20 0.32
MAPT P10636 2/20 0.32
PTPN1 P18031 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP1A2 P05177 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
HTT P42858 1/20 0.32
HSD17B10 Q99714 1/20 0.32
GAA P10253 1/20 0.31
ASAH1 Q13510 1/20 0.31
UCHL1 P09936 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
SCHEMBL8538683 0.77 KMT2A (0.39) CYP19A1PTGS2KMT2AHPGDMAPK1
SCHEMBL8534397 0.76 PPARG (0.34) PTGS2PTPN1ALDH1A1KDM4E
SCHEMBL6964782 0.73 PPARD (0.40) HPGDPTPN1ALDH1A1SMN1; SMN2KDM4E
SCHEMBL8538469 0.67 ALOX5 (0.38) PTGS2KMT2AHPGDMAPK1PTPN1
SCHEMBL7378712 0.65 ABCG2 (0.46) CYP19A1KMT2AHPGDMAPK1MAPT
SCHEMBL538524 0.64 CYP19A1 (0.76) CYP19A1KMT2AHPGDMAPK1ALDH1A1
SCHEMBL8538467 0.64 PPARG (0.37) PTGS2KMT2AHPGDPTPN1ALDH1A1
SCHEMBL8365863 0.62 CYP19A1 (0.73) CYP19A1KMT2AHPGDMAPK1ALDH1A1
SCHEMBL4205339 0.62 CYP19A1 (0.73) CYP19A1KMT2AHPGDMAPK1ALDH1A1
SCHEMBL28795788 0.62 CYP19A1 (0.73) CYP19A1KMT2AHPGDMAPK1ALDH1A1

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