SCHEMBL30540307

SCHEMBL30540307

C=C(CCC#N)C(=O)O.C=CC(=O)OCCC#N

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.42
ALDH1A1 P00352 4/20 0.42
TP53 P04637 3/20 0.42
HIF1A Q16665 3/20 0.42
HSD17B10 Q99714 2/20 0.42
CYP3A4 P08684 2/20 0.42
HPGD P15428 1/20 0.39
THRB P10828 2/20 0.36
ALOX15 P16050 1/20 0.33
MAPK1 P28482 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL20796900 0.88 TSHR (0.38) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL33946 0.85
Methacrylic Acid SCHEMBL28829431 0.84 TSHR (0.44) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylic Acid SCHEMBL21799261 0.83 TSHR (0.50) TSHRALDH1A1TP53HIF1AHSD17B10
Lithium SCHEMBL30027291 0.83 TSHR (0.54) TSHRALDH1A1TP53HIF1AHSD17B10
SCHEMBL9696417 0.83 TSHR (0.33) TSHRALDH1A1TP53HIF1AHSD17B10
Itaconate SCHEMBL8028068 0.82 HSD17B10 (0.47) TSHRALDH1A1TP53HIF1AHSD17B10
Acrylamide SCHEMBL28214663 0.82 TSHR (0.48) TSHRALDH1A1TP53HIF1AHSD17B10
Butadiene SCHEMBL10894736 0.81 TSHR (0.52) TSHRALDH1A1TP53HIF1AHSD17B10
Itaconate SCHEMBL11802224 0.80 HSD17B10 (0.45) TSHRALDH1A1TP53HIF1AHSD17B10

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-116622168-A Low-surface free energy culture dish and preparation method thereof 深圳市碳源生物科技有限公司 2023-08-22 CN disclosed