SCHEMBL8535971

SCHEMBL8535971

Cc1c(C(=O)O)ccc(-c2cc(O)c(SCCc3ccccc3)c(=O)o2)c1Oc1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 3/20 0.36
GAA P10253 3/20 0.36
GLA P06280 2/20 0.36
HSD17B10 Q99714 2/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
PTPRC P08575 1/20 0.35
PTPN2 P17706 1/20 0.35
PTPN1 P18031 1/20 0.35
PTPN6 P29350 1/20 0.35
PTPN9 P43378 1/20 0.35
DUSP3 P51452 1/20 0.35
PTPN11 Q06124 1/20 0.35
PTPN22 Q9Y2R2 1/20 0.35
MCL1 Q07820 1/20 0.34
BCL2A1 Q16548 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
SCHEMBL8533753 0.92 KDM4E (0.34) KDM4EALDH1A1HPGDGAAGLA
SCHEMBL6957097 0.77 CYSLTR1 (0.41) PTPRCPTPN2PTPN1PTPN6PTPN9
SCHEMBL8539946 0.77 MCL1 (0.38) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL8585298 0.76 ESR1 (0.43) KDM4EHPGDGAAGLANPSR1
SCHEMBL6959687 0.75 POLB (0.38) PTPRCPTPN2PTPN1PTPN6PTPN9
SCHEMBL8535874 0.75 ATM (0.36) KDM4EALDH1A1CA12CA1CA2
SCHEMBL6955817 0.74 MAOB (0.45) KDM4EALDH1A1HPGDMAPK1SMN1; SMN2
SCHEMBL6960622 0.73 SMN1; SMN2 (0.49) KDM4EALDH1A1HPGDHSD17B10MAPK1
SCHEMBL6952786 0.72 L3MBTL1 (0.39) KDM4EALDH1A1MAPK1CA12CA1
SCHEMBL8534507 0.72 KDM4E (0.40) KDM4EALDH1A1HPGDGAAHSD17B10

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

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