SCHEMBL20044984

SCHEMBL20044984

CC(C)[Si](C#Cc1c2cc3ccccc3cc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cc3cc(F)ccc3cc12)(C(C)C)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2A6 P11509 1/20 0.44
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ DHODH Q02127 1/20 0.31
▸ CACNA2D1 P54289 1/20 0.31
▸ CACNB2 Q08289 1/20 0.31
▸ CACNA1C Q13936 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ LMNA P02545 1/20 0.30
▸ MAPT P10636 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30
▸ TRPA1 O75762 1/20 0.30
▸ CTDSP1 Q9GZU7 1/20 0.30
▸ TDP1 Q9NUW8 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
SCHEMBL20044956 0.88 CACNA2D1 (0.35) CYP1A2CACNA2D1CACNB2CACNA1CLMNA
SCHEMBL1270205 0.88 CACNA2D1 (0.35) CYP1A2CACNA2D1CACNB2CACNA1CLMNA
SCHEMBL336442 0.88 CACNA2D1 (0.37) CYP1A2CYP2A6L3MBTL1CACNA2D1CACNB2
SCHEMBL29360481 0.88 CACNA2D1 (0.37) CYP1A2CYP2A6L3MBTL1CACNA2D1CACNB2
SCHEMBL18267813 0.86 CACNA2D1 (0.36) CYP1A2L3MBTL1CACNA2D1CACNB2CACNA1C
SCHEMBL2161848 0.85 ESR1 (0.35) CYP1A2CACNA2D1CACNB2CACNA1CLMNA
SCHEMBL651091 0.85 CACNA2D1 (0.33) CYP1A2CACNA2D1CACNB2CACNA1CLMNA
SCHEMBL14514097 0.85 CACNA2D1 (0.35) CYP1A2CACNA2D1CACNB2CACNA1CLMNA
SCHEMBL30360377 0.85 CACNA2D1 (0.35) CYP1A2CACNA2D1CACNB2CACNA1CLMNA
SCHEMBL19464523 0.84 CYP11B1 (0.34) CYP1A2CACNA2D1CACNB2CACNA1CLMNA

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
US-20180102222-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-04-12 — — US disclosed
US-20180102222-A1 PHOTOELECTRIC CONVERSION ELEMENT, AND SOLAR CELL USING THE SAME FUJIFILM CORPORATION (JP) 2018-04-12 — — US disclosed
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