SCHEMBL1706827

SCHEMBL1706827

CCCc1c(C(=O)O)cc(O)c(O)c1O[C@H]1O[C@H](CO)[C@@H](O)[C@H](O)[C@H]1O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.52
KMT2A Q03164 3/20 0.48
MEN1 O00255 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
MAPK1 P28482 1/20 0.48
RECQL P46063 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SLC28A3 Q9HAS3 4/20 0.47
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA13 Q8N1Q1 1/20 0.46
SOST Q9BQB4 1/20 0.45
PTPN2 P17706 1/20 0.45
EPHX2 P34913 1/20 0.44
SLC5A1 P13866 1/20 0.44

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
SCHEMBL4933738 0.83 KDM4E (0.54) PTPN1KMT2AMEN1KDM4EALDH1A1
SCHEMBL28345001 0.81 SOST (0.48) KMT2AMEN1KDM4EALDH1A1CYP3A4
SCHEMBL13576893 0.77 USP2 (0.58) PTPN1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5181431 0.77 USP2 (0.58) PTPN1KMT2AMEN1KDM4EALDH1A1
SCHEMBL3140292 0.77 USP2 (0.58) PTPN1KMT2AMEN1KDM4EALDH1A1
SCHEMBL13577089 0.77 USP2 (0.58) PTPN1KMT2AMEN1KDM4EALDH1A1
SCHEMBL5181145 0.77 USP2 (0.58) PTPN1KMT2AMEN1KDM4EALDH1A1
Ammonia Solution, Strong SCHEMBL5181807 0.76 USP2 (0.57) PTPN1KMT2AMEN1KDM4EALDH1A1
Lalioside SCHEMBL21130709 0.75 SLC28A3 (0.69) PTPN1KMT2AMEN1KDM4EALDH1A1
Lalioside SCHEMBL29350257 0.75 SLC28A3 (0.69) PTPN1KMT2AMEN1KDM4EALDH1A1

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
EP-2027279-B1 Phenolic compounds with cosmetic and therapeutic applications LIBRAGEN (FR) 2012-04-18 EP claimed