SCHEMBL28927876

SCHEMBL28927876

COC(CCc1ccccc1)(OC)O[SiH3]

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
ALOX15 P16050 1/20 0.37
ALOX12 P18054 1/20 0.37
CASP1 P29466 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TAAR1 Q96RJ0 3/20 0.36
ATM Q13315 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
CYP2A6 P11509 1/20 0.35
HTR2A P28223 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
LOXL2 Q9Y4K0 1/20 0.35
IDO1 P14902 1/20 0.34
AOC3 Q16853 1/20 0.34
LTA4H P09960 1/20 0.34
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
L3MBTL1 Q9Y468 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
SCHEMBL6554382 0.88 ALDH1A1 (0.42) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL1225537 0.80 SLC6A2 (0.43) ALDH1A1TAAR1SMN1; SMN2LTA4H
SCHEMBL28645941 0.79 GAA (0.36) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL964291 0.76 ALDH1A1 (0.39) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL7277922 0.75 TP53 (0.44) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL19509051 0.74 ALDH1A1 (0.41) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL1501497 0.73 TP53 (0.38) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL6023404 0.72 TP53 (0.41) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL10920935 0.71 ALDH1A1 (0.38) ALDH1A1HPGDALOX15ALOX12CASP1
SCHEMBL3338289 0.71 MAOB (0.39) ALDH1A1HPGDALOX15ALOX12CASP1

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
CN-109715680-B Process for preparing high cis-1, 4-polydienes with lanthanide-based catalyst compositions 株式会社普利司通 2021-10-19 CN disclosed