SCHEMBL30805682

SCHEMBL30805682

O=C(O)C1CC(S(=O)(=O)O)CCC1O

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
CYP3A4 P08684 1/20 0.34
GABRA1 P14867 1/20 0.34
TSHR P16473 1/20 0.34
GABRG2 P18507 1/20 0.34
NFKB1 P19838 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34
GABRA6 Q16445 1/20 0.34
GABRR1 P24046 1/20 0.33
SLC1A2 P43004 2/20 0.31
SLC1A1 P43005 2/20 0.31
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30

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
SCHEMBL21807965 0.77 ACE (0.39) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL25660691 0.75
SCHEMBL19642716 0.75
SCHEMBL11096793 0.72 TSHR (0.50) LMNACYP3A4GABRA1TSHRGABRG2
SCHEMBL3904229 0.72 GABRR1 (0.40) GABRR1SLC1A2SLC1A1
SCHEMBL7859059 0.70 GABRR1 (0.39) GABRR1SLC1A2SLC1A1
SCHEMBL28934977 0.69
SCHEMBL6580400 0.69
SCHEMBL12276963 0.67 GABRR1 (0.50) LMNATSHRGABRR1SLC1A2SLC1A1
SCHEMBL3139476 0.67 LMNA (0.41) LMNACYP3A4GABRA1TSHRGABRG2

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-115070031-B Cu@In@Ag core-shell structure interconnection material and preparation method thereof 哈尔滨工业大学(深圳) 2024-02-20 CN disclosed