SCHEMBL24119671

SCHEMBL24119671

C[Si](C)(C)Oc1ccc(Cc2ccc(O[Si](C)(C)C)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.46
ELANE P08246 1/20 0.45
STS P08842 1/20 0.40
POLB P06746 1/20 0.38
ALDH1A1 P00352 5/20 0.37
LMNA P02545 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
CYP2D6 P10635 1/20 0.37
ATM Q13315 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
CYP3A4 P08684 2/20 0.37
TSHR P16473 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
MAPK1 P28482 1/20 0.37
CYP17A1 P05093 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.36
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36

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
SCHEMBL11603950 0.85 TAAR1 (0.41) ALDH1A1ESR1ESR2
SCHEMBL4763549 0.84 CA1 (0.39) ALDH1A1TDP1MAPK1
SCHEMBL13155848 0.83 TDP1 (0.44) ALDH1A1LMNASMN1; SMN2TDP1L3MBTL1
SCHEMBL4160321 0.81 TRPA1 (0.39) LTA4HELANEALDH1A1TSHR
SCHEMBL16301942 0.81 LTA4H (0.48) LTA4HELANETSHR
SCHEMBL14262559 0.81 CA1 (0.34) LTA4HELANEALDH1A1LMNASMN1; SMN2
SCHEMBL8709350 0.81 ALDH1A1 (0.33) LTA4HELANEALDH1A1SMN1; SMN2CYP3A4
SCHEMBL14535506 0.79 ALDH1A1 (0.41) POLBALDH1A1
SCHEMBL9721207 0.78 IDO1 (0.34) ESR1
SCHEMBL9652153 0.78 TDP1 (0.43) POLBALDH1A1TDP1

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-20210395513-A1 EPOXY RESIN COMPOSITION BASF SE (DE) 2021-12-23 US disclosed