SCHEMBL4756882

SCHEMBL4756882

O=Cc1ccc(O)c(C(=O)N(CCO)CCO)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.46
KDM4E B2RXH2 1/20 0.46
RAB9A P51151 1/20 0.46
PTPN1 P18031 3/20 0.40
HSP90AA1 P07900 2/20 0.40
HSP90AB1 P08238 2/20 0.40
PTPN2 P17706 1/20 0.40
PTPN6 P29350 1/20 0.40
ALDH1A1 P00352 4/20 0.40
ALDH5A1 P51649 2/20 0.39
ABAT P80404 2/20 0.39
HPGD P15428 2/20 0.39
TRIM24 O15164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TRIM33 Q9UPN9 1/20 0.39
HNF4A P41235 1/20 0.37
AOX1 Q06278 1/20 0.36
TP53 P04637 1/20 0.34
TSHR P16473 1/20 0.34
LCK P06239 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
SCHEMBL4757694 0.82 ALDH1A1 (0.45) PTGS2KDM4ERAB9APTPN1HSP90AA1
SCHEMBL2929635 0.82 APP (0.44) PTGS2KDM4ERAB9AHSP90AA1HSP90AB1
SCHEMBL31247666 0.77 L3MBTL1 (0.53) PTGS2KDM4ERAB9APTPN1PTPN2
SCHEMBL4757696 0.76 PTPN1 (0.41) PTPN1PTPN2PTPN6ALDH1A1MAPK1
SCHEMBL9695761 0.75 ALDH1A1 (0.48) ALDH1A1ALDH5A1ABATHPGD
SCHEMBL4757855 0.73 ALDH1A1 (0.41) PTGS2ALDH1A1ALDH5A1ABATHPGD
SCHEMBL29354644 0.72 PTPN1 (0.71) PTGS2KDM4ERAB9APTPN1PTPN2
SCHEMBL130917 0.72 PTPN1 (0.71) PTGS2KDM4ERAB9APTPN1PTPN2
SCHEMBL31055908 0.72 ALDH1A1 (0.50) PTGS2KDM4ERAB9APTPN1PTPN2
SCHEMBL4757728 0.72 ALDH1A1 (0.55) PTGS2KDM4ERAB9APTPN1PTPN2

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
EP-1879661-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2008-01-23 EP claimed
WO-2006119821-A1 AGENT FOR DYEING KERATIN-BASED FIBRES HENKEL KOMMANDITGESELLCHAFT AUF AKTIEN (DE) 2006-11-16 WO claimed