SCHEMBL13201103

SCHEMBL13201103

COCC(O)COCC(COC)OCC(O)CO

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.47
LMNA P02545 2/20 0.33
AGTR1 P30556 1/20 0.33
CYP1A2 P05177 1/20 0.33
KDM4E B2RXH2 2/20 0.32
DUSP3 P51452 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
MAPK1 P28482 1/20 0.31
HTT P42858 1/20 0.31
LPAR5 Q9H1C0 3/20 0.30
LPAR6 P43657 2/20 0.30
LPAR1 Q92633 2/20 0.30
LPAR4 Q99677 2/20 0.30
LPAR2 Q9HBW0 2/20 0.30
LPAR3 Q9UBY5 2/20 0.30

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
SCHEMBL12153385 1.00 USP2 (0.47) USP2LMNAAGTR1CYP1A2KDM4E
SCHEMBL17366591 0.94 USP2 (0.38) USP2KDM4EHTTLPAR5LPAR6
SCHEMBL17366589 0.94 USP2 (0.38) USP2KDM4EHTTLPAR5LPAR6
SCHEMBL19223050 0.93 USP2 (0.42) USP2
SCHEMBL16203550 0.93 USP2 (0.44) USP2LMNAAGTR1CYP1A2KDM4E
SCHEMBL19546129 0.93 USP2 (0.44) USP2LMNAAGTR1CYP1A2KDM4E
SCHEMBL19212913 0.92 USP2 (0.39) USP2KDM4EHTTLPAR5LPAR6
SCHEMBL14444695 0.92 KDM4E (0.35) USP2KDM4EHTTLPAR5LPAR6
SCHEMBL13024094 0.90 USP2 (0.45) USP2LMNAKDM4EDUSP3MEN1
SCHEMBL19624530 0.90 USP2 (0.45) USP2LMNAKDM4EDUSP3MEN1

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-7771709-B2 Polyethersiloxane copolymer SHIN-ETSU CHEMICAL CO., LTD. (JP) 2010-08-10 US disclosed