SCHEMBL25647262

SCHEMBL25647262

C=C(C)C(=O)OCC(O)COc1ccc(C(C)(C)c2ccc(OCC(O)COC(=O)C3CCCCCCCCCCCCCC3)cc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.47
USP2 O75604 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RECQL P46063 1/20 0.46
ADRB2 P07550 2/20 0.44
ADRB1 P08588 2/20 0.44
ADRB3 P13945 1/20 0.44
HTT P42858 3/20 0.42
HIF1A Q16665 1/20 0.42
AR P10275 2/20 0.41
KMT2A Q03164 5/20 0.41
EPHX2 P34913 1/20 0.40
MAPT P10636 4/20 0.39
MEN1 O00255 4/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 2/20 0.39
MITF O75030 1/20 0.39
MAPK1 P28482 1/20 0.39
LMNA P02545 2/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL23957948 1.00 ALDH1A1 (0.47) ALDH1A1USP2SMN1; SMN2RECQLADRB2
SCHEMBL23957947 1.00 ALDH1A1 (0.47) ALDH1A1USP2SMN1; SMN2RECQLADRB2
SCHEMBL15349 0.87 HTT (0.53) ALDH1A1USP2SMN1; SMN2HTTHIF1A
SCHEMBL20610370 0.87 HTT (0.53) ALDH1A1USP2SMN1; SMN2HTTHIF1A
SCHEMBL22020008 0.87 HTT (0.53) ALDH1A1USP2SMN1; SMN2HTTHIF1A
SCHEMBL11967041 0.87 HTT (0.53) ALDH1A1USP2SMN1; SMN2HTTHIF1A
SCHEMBL14173202 0.87 HTT (0.53) ALDH1A1USP2SMN1; SMN2HTTHIF1A
Bicarbonate SCHEMBL7732697 0.85 HTT (0.51) ALDH1A1SMN1; SMN2HTTHIF1AAR
SCHEMBL15803522 0.84 HTT (0.50) ALDH1A1USP2SMN1; SMN2HTTHIF1A
SCHEMBL19479960 0.84 AR (0.54) ALDH1A1USP2SMN1; SMN2HTTHIF1A

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-20230174707-A1 POLYMERIZABLE THERMOSETTING RESINS FROM TALL OIL MAINSTREAM PINE PRODUCTS, LLC 2023-06-08 US disclosed