SCHEMBL5801716

SCHEMBL5801716

O=C(CBr)c1ccc(Oc2ccccc2)cc1.O=CCc1ccc(Oc2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 4/20 0.53
GSK3B P49841 3/20 0.51
PTPN1 P18031 3/20 0.51
ERCC5 P28715 1/20 0.51
FEN1 P39748 1/20 0.51
MMP1 P03956 1/20 0.48
FFAR1 O14842 1/20 0.46
PARP10 Q53GL7 1/20 0.46
LTA4H P09960 1/20 0.45
MAPK14 Q16539 1/20 0.44
HPGD P15428 1/20 0.43
POLB P06746 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL1350830 0.87 GSK3B (0.67) SRD5A2GSK3BPTPN1ERCC5FEN1
SCHEMBL5324129 0.82 LTA4H (0.57) SRD5A2FFAR1PARP10LTA4H
SCHEMBL204218 0.80 GSK3B (0.70) GSK3BPTPN1ERCC5FEN1MMP1
SCHEMBL4456868 0.78 NR4A1 (0.64) SRD5A2GSK3BPTPN1FFAR1PARP10
SCHEMBL203505 0.75 TNKS (0.58) GSK3BPTPN1ERCC5FEN1PARP10
SCHEMBL19043378 0.75 MMP1 (0.60) SRD5A2ERCC5FEN1MMP1FFAR1
SCHEMBL4744025 0.74 MAPT (0.68) SRD5A2HPGDPOLBSMN1; SMN2
SCHEMBL26327986 0.74 MAPT (0.68) SRD5A2HPGDPOLBSMN1; SMN2
Phenylacetaldehyde SCHEMBL11036118 0.74 GSK3B (0.69) GSK3BPTPN1POLBSMN1; SMN2
SCHEMBL8260473 0.74 GSK3B (0.77) SRD5A2GSK3BPTPN1ERCC5FEN1

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
WO-2006057503-A1 NOVEL COMPOUNDS AS AGONIST FOR PPARϜ AND PPARα, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2006-06-01 WO disclosed