SCHEMBL28891709

SCHEMBL28891709

C=CC(=O)Oc1ccccc1Oc1ccccc1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 2/20 0.48
THRA P10827 1/20 0.48
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
TSHR P16473 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CASP1 P29466 1/20 0.40
NPSR1 Q6W5P4 1/20 0.38
AR P10275 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
HSD17B10 Q99714 1/20 0.38
ATM Q13315 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
PPARG P37231 1/20 0.37
BCHE P06276 1/20 0.37

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
SCHEMBL30577103 0.90 THRB (0.53) THRBTHRAMEN1KMT2ANPSR1
SCHEMBL1058506 0.90 THRB (0.53) THRBTHRAMEN1KMT2ANPSR1
SCHEMBL14173222 0.89 THRB (0.51) THRBTHRAMEN1KMT2ASMN1; SMN2
Hydrochloric Acid SCHEMBL19749006 0.88 THRB (0.51) THRBTHRAMEN1KMT2ANPSR1
SCHEMBL29413361 0.84 THRB (0.56) THRBTHRAMEN1KMT2ASMN1; SMN2
SCHEMBL3841280 0.84 THRB (0.56) THRBTHRAMEN1KMT2ASMN1; SMN2
Acrylic Acid Methyl Ester SCHEMBL27885616 0.83 THRB (0.48) THRBTHRAMEN1KMT2ASMN1; SMN2
Methacrylic Acid SCHEMBL27688921 0.81 THRB (0.46) THRBTHRATSHRSMN1; SMN2NPSR1
Styrene SCHEMBL28776566 0.81 THRB (0.46) THRBTHRATSHRKDM4EMAPT
Acrylic Acid Ethyl Ester SCHEMBL27715220 0.81 THRB (0.52) THRBTHRAMEN1TSHRRAB9A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110914241-B Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2023-11-14 CN disclosed
CN-110914241-A Propionic acid derivatives and methods of use thereof 阿维亚拉药品有限公司 2020-03-24 CN disclosed