SCHEMBL11519941

SCHEMBL11519941

CC=CC(=O)OCC(O)COc1cccc(OCC(O)COC(=O)C=CC)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.49
TSHR P16473 1/20 0.49
HIF1A Q16665 1/20 0.49
KDM4E B2RXH2 2/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
GAA P10253 1/20 0.43
ACE2 Q9BYF1 1/20 0.43
LMNA P02545 2/20 0.42
HPGD P15428 1/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
MTNR1A P48039 3/20 0.41
MTNR1B P49286 3/20 0.41
ADRB2 P07550 1/20 0.41
ADRB1 P08588 1/20 0.41

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
SCHEMBL9850746 0.92 ADRB3 (0.44) MAPK1TSHRHIF1AKDM4ESMN1; SMN2
SCHEMBL9177632 0.90 MEN1 (0.49) KDM4ESMN1; SMN2L3MBTL1LMNAPOLB
SCHEMBL10931458 0.90 MAOA (0.43) MAPK1TSHRHIF1AKDM4ESMN1; SMN2
SCHEMBL17885758 0.83 KDM4E (0.47) MAPK1TSHRHIF1AKDM4EL3MBTL1
SCHEMBL11650141 0.82 THRB (0.49) MAPK1TSHRHIF1AKDM4ESMN1; SMN2
SCHEMBL13423344 0.82 THRB (0.49) MAPK1TSHRHIF1AKDM4ESMN1; SMN2
SCHEMBL21081984 0.82 CYP1A2 (0.58) KDM4ESMN1; SMN2LMNAADRB2ADRB1
SCHEMBL3194813 0.82 LMNA (0.48) TSHRKDM4ESMN1; SMN2LMNAPOLB
SCHEMBL7934548 0.82 MAPT (0.44) KDM4ESMN1; SMN2LMNAPOLBMAPT
SCHEMBL721027 0.81 CYP1A2 (0.48) MAPK1SMN1; SMN2GAALMNAPOLB

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-4156766-A ACRYLATES AND/OR METHACRYLATES, P-T-BUTYLBENZOYL PEROXIDE, AMINE ACCELERATOR; DENTAL RESTORATIVE MATERIAL, HEAT RESISTANT JOHNSON & JOHNSON (US) 1979-05-29 US disclosed