SCHEMBL5068618

SCHEMBL5068618

COC(C)(C)c1ccccc1-c1ccccc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 2/20 0.37
MAPK1 P28482 2/20 0.37
HPGD P15428 1/20 0.37
BCL2L1 Q07817 1/20 0.37
CYP2A6 P11509 1/20 0.37
MITF O75030 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ALOX15 P16050 1/20 0.34
PTGS2 P35354 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
ADRB2 P07550 3/20 0.34
HSD11B1 P28845 1/20 0.34
BACE1 P56817 2/20 0.33
DPP4 P27487 1/20 0.33

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
SCHEMBL1338595 0.85 MAPK1 (0.36) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL27619931 0.85 ABL1 (0.53) MAPTBACE1HTR7
SCHEMBL18297950 0.82 HSD11B1 (0.37) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL10448876 0.82 ALDH1A1 (0.52) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL10581664 0.82 CYP2A6 (0.40) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL28562495 0.80 MAPK1 (0.43) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL6900861 0.79 MAPK1 (0.42) ALDH1A1HSD17B10MAPK1NPSR1ALOX15
SCHEMBL29947075 0.79 MAPK1 (0.42) ALDH1A1HSD17B10MAPK1NPSR1ALOX15
SCHEMBL29833702 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPK1HPGDBCL2L1
SCHEMBL291792 0.78 ALDH1A1 (0.46) ALDH1A1HSD17B10MAPK1HPGDBCL2L1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008099904-A1 SILANE COMPOUND, PRODUCTION METHOD THEREOF, AND RESIN COMPOSITION CONTAINING SILANE COMPOUND NIPPON SHOKUBAI CO., LTD. (JP) 2008-08-21 WO disclosed