SCHEMBL20044978

SCHEMBL20044978

CC(C)[Si](C#Cc1cc2c(cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c3c4ccccc4ccc23)c2ccc3ccccc3c12)(C(C)C)C(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 4/20 0.38
HPGD P15428 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
TSHR P16473 2/20 0.38
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 1/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
CYP1A2 P05177 4/20 0.37
CYP1B1 Q16678 2/20 0.37
CYP1A1 P04798 1/20 0.37
HPRT1 P00492 3/20 0.34
FYN P06241 2/20 0.34
ACHE P22303 2/20 0.34
AHR P35869 2/20 0.34
ERBB2 P04626 1/20 0.34
MAOA P21397 1/20 0.34

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
SCHEMBL20044980 0.83 TLR8 (0.36) HSD17B10HPGDCYP3A4CASP1CASP7
SCHEMBL20044946 0.80 HPRT1 (0.41) TSHRCYP3A4RAB9ACYP1A2CYP1B1
SCHEMBL20044985 0.80 CACNA2D1 (0.37) CACNA2D1CACNB2CACNA1C
SCHEMBL27003507 0.80 PTPN22 (0.42) L3MBTL1RAB9ACYP1A2CYP1B1CYP1A1
SCHEMBL9900297 0.80 TSHR (0.41) HSD17B10HPGDL3MBTL1TSHRHIF1A
SCHEMBL29977301 0.79 GRM5 (0.45) HSD17B10TSHRCYP1A2CYP1B1CYP1A1
SCHEMBL26259230 0.79 GRM5 (0.45) HSD17B10TSHRCYP1A2CYP1B1CYP1A1
SCHEMBL4586339 0.79 CACNA2D1 (0.36) HSD17B10HPGDCYP1A2ALDH1A1THRB
SCHEMBL26661844 0.78 HPRT1 (0.36) HSD17B10HPGDL3MBTL1TSHRHIF1A
SCHEMBL2387023 0.76 DYRK1A (0.35) CACNA2D1CACNB2CACNA1C

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