SCHEMBL28577877

SCHEMBL28577877

C[Si](C)(C)C#Cc1ccc(-c2ccccc2)c(F)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.44
GABRG2 P18507 1/20 0.44
GABRB3 P28472 1/20 0.44
GABRA5 P31644 1/20 0.44
GABRA3 P34903 1/20 0.44
GABRA2 P47869 1/20 0.44
GRM5 P41594 1/20 0.41
PTGS1 P23219 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
PTGS2 P35354 2/20 0.41
LMNA P02545 2/20 0.41
MAPT P10636 2/20 0.41
CYP1A2 P05177 2/20 0.41
FABP2 P12104 1/20 0.41
TSHR P16473 1/20 0.41
AKR1C4 P17516 1/20 0.41
ADRA2B P18089 1/20 0.41
CHRM3 P20309 1/20 0.41
HTR2C P28335 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
SCHEMBL5345949 0.82 ALOX5 (0.47) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL27638158 0.81 GABRA1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL4616721 0.80 S1PR1 (0.44) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1477690 0.77 GRM5 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL26262204 0.77 GABRA1 (0.40) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL31062410 0.75 GABRG2 (0.45) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL12477508 0.75 CYP1A2 (0.59) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9264032 0.75 ALDH1A1 (0.49) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL9303383 0.74 PTGS1 (0.42) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL2322002 0.74 LMNA (0.46) PTGS1MEN1KMT2APTGS2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112778115-B Preparation method of flurbiprofen 山东师范大学 2022-08-09 CN claimed
CN-112778115-A Preparation method of flurbiprofen 山东师范大学 2021-05-11 CN claimed
CN-114887666-B Catalyst and application thereof 山东师范大学 2023-12-22 CN disclosed
CN-114887666-B Catalyst and application thereof 山东师范大学 2023-12-22 CN disclosed
CN-114887666-A Catalyst and application thereof 山东师范大学 2022-08-12 CN disclosed
CN-114887666-A Catalyst and application thereof 山东师范大学 2022-08-12 CN disclosed
CN-112778115-B Preparation method of flurbiprofen 山东师范大学 2022-08-09 CN disclosed
CN-112778115-B Preparation method of flurbiprofen 山东师范大学 2022-08-09 CN disclosed
CN-112778115-A Preparation method of flurbiprofen 山东师范大学 2021-05-11 CN disclosed
CN-112778115-A Preparation method of flurbiprofen 山东师范大学 2021-05-11 CN disclosed