SCHEMBL28041978

SCHEMBL28041978

CCO[Si](C)(CCCO)OC(C)Nc1ccccc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.35
GAA P10253 4/20 0.32
ALDH1A1 P00352 5/20 0.32
CYP3A4 P08684 2/20 0.32
ALOX15 P16050 2/20 0.32
TSHR P16473 2/20 0.32
ALOX12 P18054 2/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 2/20 0.32
THRB P10828 1/20 0.32
RECQL P46063 1/20 0.32
ATM Q13315 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
KCNH3 Q9ULD8 2/20 0.31
MAPK1 P28482 1/20 0.31
HIF1A Q16665 1/20 0.31
RRM1 P23921 1/20 0.30
TEAD4 Q15561 1/20 0.30
HDAC3 O15379 1/20 0.30
HDAC4 P56524 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
SCHEMBL8464853 0.82 TDP1 (0.38) TDP1GAAALDH1A1CYP3A4ALOX15
SCHEMBL16553237 0.78 TDP1 (0.42) TDP1GAAALDH1A1CYP3A4ALOX15
SCHEMBL27658984 0.78 TDP1 (0.42) TDP1GAAALDH1A1CYP3A4ALOX15
SCHEMBL28041980 0.76
SCHEMBL303194 0.74 TDP1 (0.39) TDP1GAAALDH1A1CYP3A4ALOX15
Aniline SCHEMBL28065762 0.74 TSHR (0.35) TDP1ALDH1A1CYP3A4TSHRLMNA
SCHEMBL28025398 0.74
SCHEMBL27763136 0.72 TDP1 (0.42) TDP1GAAALDH1A1CYP3A4ALOX15
SCHEMBL28029353 0.71 TDP1 (0.35) TDP1GAAALDH1A1CYP3A4ALOX15
SCHEMBL692446 0.70 ALDH1A1 (0.35) ALDH1A1TSHRHSD17B10LMNASMN1; SMN2

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-105121544-A Curable composition, and joint structure produced using same SEKISUI FULLER CO LTD 2015-12-02 CN disclosed