SCHEMBL28655847

SCHEMBL28655847

C[Si](C)(C)C#Cc1ccc(C(=C(c2ccc(C#C[Si](C)(C)C)cc2)c2ccc(C#C[Si](C)(C)C)cc2)c2ccc(C#C[Si](C)(C)C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP2 P08253 2/20 0.34
MMP12 P39900 2/20 0.34
GABRA1 P14867 3/20 0.33
GABRG2 P18507 3/20 0.33
GABRB3 P28472 3/20 0.33
GABRA5 P31644 3/20 0.33
GABRA3 P34903 3/20 0.33
GABRA2 P47869 3/20 0.33
RARB P10826 1/20 0.33
RARG P13631 1/20 0.33
GABRA6 Q16445 2/20 0.31
GABRA4 P48169 1/20 0.31
KDM4E B2RXH2 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 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
SCHEMBL27027138 0.92 ESR1 (0.37) MMP2MMP12GABRA1GABRG2GABRB3
SCHEMBL1306384 0.85 GABRA1 (0.38) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL1306505 0.83 APP (0.41) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL8049735 0.83 ALDH1A1 (0.43) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL7262242 0.81 GABRA1 (0.31) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL6036758 0.81 RARB (0.55) RARBRARGALDH1A1CYP3A4HPGD
SCHEMBL9636621 0.81 HPGD (0.47) RARBRARGKDM4EMEN1ALDH1A1
SCHEMBL25093690 0.79 NOS1 (0.44) RARBRARGALDH1A1CYP3A4MAPT
SCHEMBL1230907 0.79 APP (0.48) GABRA1GABRG2GABRB3GABRA5GABRA3
SCHEMBL16377571 0.78 MMP2 (0.43) MMP2MMP12GABRA1GABRG2GABRB3

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-110650990-B Fluorescent porous organic nanosheets for chemical sensing 新加坡国立大学 2022-12-20 CN disclosed
CN-110218220-B Functionalized metal-organic framework compound, complex formed by functionalized metal-organic framework compound, and preparation method and application of functionalized metal-organic framework compound 中山大学 2021-11-12 CN disclosed