SCHEMBL31044602

SCHEMBL31044602

C[Si](C)(C)C#Cc1cccc(C=O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.46
ALDH1A1 P00352 4/20 0.41
BRD4 O60885 1/20 0.40
UNG P13051 1/20 0.38
CYP2A6 P11509 1/20 0.35
TSHR P16473 1/20 0.35
SRC P12931 1/20 0.34
MAOA P21397 3/20 0.33
MAOB P27338 3/20 0.33
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33
GABRA2 P47869 1/20 0.33
POLB P06746 1/20 0.33
FGFR1 P11362 1/20 0.33
NPC1 O15118 1/20 0.33

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
SCHEMBL2934101 1.00 FFAR1 (0.46) FFAR1ALDH1A1BRD4UNGCYP2A6
SCHEMBL10633500 0.82 FFAR1 (0.58) FFAR1ALDH1A1BRD4UNGCYP2A6
SCHEMBL24835098 0.81 LOX (0.32)
SCHEMBL31574360 0.81 LOX (0.32)
SCHEMBL3614755 0.80 GRM5 (0.39) ALDH1A1GABRA1GABRG2GABRB3GABRA5
SCHEMBL9699028 0.79 FFAR1 (0.49) FFAR1ALDH1A1BRD4UNGCYP2A6
SCHEMBL3735218 0.77 FFAR1 (0.62) FFAR1ALDH1A1UNGCYP2A6MAOA
SCHEMBL701214 0.77 CYP2A6 (0.43) ALDH1A1BRD4CYP2A6GABRA1GABRG2
SCHEMBL29622470 0.77 FFAR1 (0.62) FFAR1ALDH1A1UNGCYP2A6MAOA
SCHEMBL30409291 0.75 GRM5 (0.36)

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-119678105-A Method for producing semiconductor substrate and composition for film formation JSR株式会社 2025-03-21 CN disclosed
CN-111285874-B RET inhibitor, pharmaceutical composition thereof and application thereof 广东东阳光药业股份有限公司 2024-08-09 CN disclosed