SCHEMBL28388697

SCHEMBL28388697

C=C(C)C(=O)OCC(O)COC(C)(Cc1ccccc1)OCC(O)COC(=O)C(=C)C

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 5/20 0.41
ADRB1 P08588 5/20 0.41
ADRB3 P13945 5/20 0.41
TSHR P16473 2/20 0.40
LPAR1 Q92633 3/20 0.36
TRPA1 O75762 1/20 0.36
ALDH1A1 P00352 4/20 0.36
RECQL P46063 1/20 0.36
MMP8 P22894 1/20 0.36
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
CASR P41180 1/20 0.34
VDR P11473 1/20 0.34
KDM4E B2RXH2 1/20 0.34
LMNA P02545 1/20 0.34
CYP1A2 P05177 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
SCHEMBL23853845 0.83 ADRB2 (0.42) ADRB2ADRB1ADRB3TSHRLPAR1
SCHEMBL19012575 0.81 TSHR (0.43) ADRB2ADRB1ADRB3TSHRTRPA1
SCHEMBL10590010 0.81 THRB (0.41) TSHRALDH1A1RECQLMMP8CYP3A4
SCHEMBL10867141 0.79 TSHR (0.47) ADRB2ADRB1ADRB3TSHRTRPA1
SCHEMBL11657250 0.79 CA1 (0.53) TSHRALDH1A1
SCHEMBL19012588 0.78 THRB (0.42) TSHRALDH1A1RECQLMMP8CYP3A4
SCHEMBL9788138 0.76 TSHR (0.53) TSHRALDH1A1
SCHEMBL4073168 0.76 TSHR (0.53) TSHRALDH1A1KDM4E
SCHEMBL219561 0.75 MAPT (0.51) ADRB2ADRB1ADRB3TSHRLMNA
SCHEMBL12126370 0.75 ADRB2 (0.58) ADRB2ADRB1ADRB3TSHRALDH1A1

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
CN-105283146-B Method for producing dental resin block 株式会社GC 2020-05-05 CN disclosed