SCHEMBL9805522

SCHEMBL9805522

CC(C)(O)C#Cc1ccc(C(=O)OC(C)(C)C)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.51
▸ L3MBTL1 Q9Y468 2/20 0.51
▸ GABRA1 P14867 2/20 0.50
▸ GABRG2 P18507 2/20 0.50
▸ GABRB3 P28472 2/20 0.50
▸ GABRA3 P34903 2/20 0.50
▸ GABRA2 P47869 2/20 0.50
▸ MAPT P10636 3/20 0.49
▸ CA12 O43570 1/20 0.45
▸ CA1 P00915 1/20 0.45
▸ CA2 P00918 1/20 0.45
▸ CA9 Q16790 1/20 0.45
▸ CA14 Q9ULX7 1/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ HAO1 Q9UJM8 1/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ RAB9A P51151 1/20 0.41

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
SCHEMBL22031725 0.85 LMNA (0.59) LMNAL3MBTL1MAPTCA12CA1
SCHEMBL18897552 0.83 GABRA1 (0.52) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL31541855 0.81 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL22702371 0.81 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL18529382 0.81 MAPT (0.56) LMNAL3MBTL1MAPTCA12CA1
SCHEMBL9805714 0.80 GABRA1 (0.54) LMNAL3MBTL1GABRA1GABRG2GABRB3
SCHEMBL109451 0.80 CA1 (0.61) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL22442356 0.79 RARB (0.62) LMNAL3MBTL1MAPTHTTSMN1; SMN2
SCHEMBL4867454 0.79 GABRA1 (0.51) GABRA1GABRG2GABRB3GABRA3GABRA2
SCHEMBL737968 0.79 L3MBTL1 (0.52) LMNAL3MBTL1MAPTHTTSMN1; SMN2

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
US-5068300-A BIFUNCTIONAL STILBENE COMPOUNDS CONTAINING AT LEAST ONE Z-CONFIGURATED STILBENE GROUP, PROCESS FOR THEIR PREPARATION AND THEIR USE FOR THE PREPARATION OF POLYMERS BAYER AKTIENGESELLSCHAFT (DE) 1991-11-26 — — US disclosed
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