SCHEMBL25952933

SCHEMBL25952933

C=C/C=C\C=C(/C=C)OC(C)(C)CC(O)COc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.43
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
ADRB3 P13945 1/20 0.39
LMNA P02545 2/20 0.38
CASR P41180 3/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.34
TSHR P16473 1/20 0.34
HIF1A Q16665 1/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 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
SCHEMBL18965637 0.73 LMNA (0.44) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL22359960 0.72 CYP2D6 (0.58) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL24494612 0.72 LMNA (0.46) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL9976802 0.70 CYP2D6 (0.63) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL22360054 0.69 CYP2D6 (0.54) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL22359881 0.68 CYP2D6 (0.52) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL23732619 0.68
SCHEMBL19917249 0.68 TGM2 (0.37) L3MBTL1TSHR
SCHEMBL7073437 0.67 CYP2D6 (0.48) CYP2D6ADRB2ADRB1ADRB3LMNA
SCHEMBL24838636 0.67

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-3415571-B1 GLYCIDYL ETHER ALKOXYLATE BLOCK COPOLYMERS DOW GLOBAL TECHNOLOGIES LLC (US) 2023-08-09 EP disclosed