SCHEMBL29212985

SCHEMBL29212985

C#CC(O)(C#C[Si](C(C)C)(C(C)C)C(C)C)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CACNA2D1 P54289 1/20 0.40
▸ CACNB2 Q08289 1/20 0.40
▸ CACNA1C Q13936 1/20 0.40
▸ KDM4E B2RXH2 2/20 0.34
▸ PABPC1 P11940 1/20 0.34
▸ APOBEC3A P31941 1/20 0.34
▸ APOBEC3G Q9HC16 1/20 0.34
▸ CRHBP P24387 1/20 0.33
▸ CRHR2 Q13324 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CYP2D6 P10635 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ CYP2C19 P33261 2/20 0.33
▸ HSD17B10 Q99714 1/20 0.33
▸ CYP3A4 P08684 1/20 0.31
▸ CYP1A2 P05177 1/20 0.31
▸ ATM Q13315 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
SCHEMBL15077772 0.90 CACNA2D1 (0.44) CACNA2D1CACNB2CACNA1CKDM4EPABPC1
SCHEMBL29213002 0.84 CACNA2D1 (0.40) CACNA2D1CACNB2CACNA1CKDM4EPABPC1
SCHEMBL29213035 0.81 NR1H2 (0.35) KDM4EPABPC1APOBEC3AAPOBEC3GKMT2A
SCHEMBL31252158 0.80 KDM4E (0.47) CACNA2D1CACNB2CACNA1CKDM4EPABPC1
SCHEMBL2464999 0.74 CACNA2D1 (0.40) CACNA2D1CACNB2CACNA1CKDM4EPABPC1
SCHEMBL18133808 0.74 TSHR (0.43) CRHBPCRHR2ALDH1A1CYP2C19CYP3A4
SCHEMBL29213024 0.74 CACNA2D1 (0.34) CACNA2D1CACNB2CACNA1C
SCHEMBL29212977 0.70 MAPT (0.41) KDM4EMEN1KMT2AALDH1A1CYP2C19
SCHEMBL29871204 0.70 CACNA2D1 (0.31) CACNA2D1CACNB2CACNA1C
SCHEMBL31663017 0.69 CRHBP (0.37) KDM4EPABPC1APOBEC3AAPOBEC3GCRHBP

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-115073401-B 2,3 '-bisfuran compound, 2,3' -oligomeric furan compound, and preparation methods and applications thereof 华南理工大学 2023-07-14 — — CN disclosed
CN-115073401-A 2,3 '-difuran compound and 2,3' -oligofuran compound, and preparation method and application thereof 华南理工大学 2022-09-20 — — CN disclosed
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