SCHEMBL9842014

SCHEMBL9842014

C[SiH](C)Oc1cc(C(C)(C)C)ccc1C(c1ccc(O)cc1)C(c1ccc(O)cc1)c1ccc(C(C)(C)C)cc1O[SiH](C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.41
TYR P14679 1/20 0.41
ALDH1A1 P00352 3/20 0.34
HPGD P15428 2/20 0.34
HSD17B10 Q99714 2/20 0.34
ALOX15 P16050 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
ESR1 P03372 5/20 0.33
ESR2 Q92731 5/20 0.33
CYP3A4 P08684 2/20 0.33
AR P10275 1/20 0.33
TSHR P16473 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
HTR6 P50406 1/20 0.33
ESRRG P62508 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32

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
SCHEMBL9843280 0.99 LMNA (0.40) LMNATYRALDH1A1HPGDHSD17B10
SCHEMBL1594594 0.74 ALDH1A1 (0.53) LMNATYRALDH1A1HPGDHSD17B10
SCHEMBL7236273 0.69 CYP2C19 (0.39) CA1CA2CA9
Hydrochloric Acid SCHEMBL7236577 0.69 CYP2C19 (0.39) GAACA1CA2CA9
Hydrochloric Acid SCHEMBL7236567 0.69 CYP2C19 (0.39) GAACA1CA2CA9
SCHEMBL4908819 0.68 TRPV1 (0.38) LMNATYRALDH1A1HPGDHSD17B10
SCHEMBL28993182 0.67 CA1 (0.39) LMNATYRALDH1A1HPGDHSD17B10
SCHEMBL14142241 0.67 ALDH1A1 (0.44) ALDH1A1HPGDHSD17B10ALOX15TDP1
SCHEMBL6667896 0.67 CA1 (0.39) LMNATYRALDH1A1HPGDHSD17B10
SCHEMBL7355054 0.67 CA1 (0.39) LMNATYRALDH1A1HPGDHSD17B10

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
US-5041516-A Macromolecules CORNELL RESEARCH FOUNDATION, INC. (US) 1991-08-20 US disclosed