SCHEMBL28290138

SCHEMBL28290138

C=CCC(=C)C(=O)NC(C)C

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.45
ALDH1A1 P00352 2/20 0.33
GAA P10253 2/20 0.33
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MMP1 P03956 1/20 0.31
MMP2 P08253 1/20 0.31
MMP9 P14780 1/20 0.31
MMP8 P22894 1/20 0.31
CA9 Q16790 1/20 0.31
MEN1 O00255 1/20 0.31
FAAH O00519 1/20 0.31
MAPK1 P28482 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL31273115 0.79 TSHR (0.36) TSHRALDH1A1GAA
SCHEMBL7212042 0.76 TET2 (0.32)
SCHEMBL28369799 0.76
SCHEMBL25762110 0.76 TSHR (0.39) TSHRALDH1A1GAACA12CA1
SCHEMBL2608296 0.76
SCHEMBL8643965 0.76 TSHR (0.39) TSHRALDH1A1GAACA12CA1
SCHEMBL7856491 0.76
SCHEMBL25762106 0.74 TSHR (0.38) TSHRALDH1A1GAACA12CA1
SCHEMBL522156 0.74 TSHR (0.38) TSHRALDH1A1GAACA12CA1
SCHEMBL24091493 0.72 TSHR (0.37) TSHRALDH1A1GAACA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107880895-B Water retention material with low-grade rock slurry soil as main raw material and preparation method thereof 信阳师范学院 2020-06-30 CN claimed
CN-107880895-B Water retention material with low-grade rock slurry soil as main raw material and preparation method thereof 信阳师范学院 2020-06-30 CN disclosed
CN-109608971-A Water-based exterior wall paint and preparation method thereof with temperature control fungicidal properties 淄博职业学院 2019-04-12 CN disclosed