SCHEMBL9575730

SCHEMBL9575730

CCO[Si](CCCOc1ccc(CC(C)O)cc1)(OCC)OCC

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACACB O00763 4/20 0.40
PPARG P37231 1/20 0.40
PPARD Q03181 1/20 0.40
PPARA Q07869 1/20 0.40
ADRB2 P07550 2/20 0.39
ADRB1 P08588 2/20 0.39
ADRB3 P13945 2/20 0.39
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
PDE4A P27815 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC10 Q969S8 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL9575960 0.94 ACACB (0.41) ACACBPPARGPPARDPPARAADRB2
SCHEMBL9373992 0.81 KDM4E (0.54) ACACBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL9575725 0.81 ALDH1A1 (0.45) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL11405912 0.79 MEN1 (0.48) KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL28886878 0.78 LMNA (0.56) ACACBKDM4ECYP1A2CYP2D6PDE4A
Isopropyl Alcohol SCHEMBL9723319 0.78 ALDH1A1 (0.51) KDM4ESMN1; SMN2ALDH1A1LMNA
SCHEMBL16845224 0.78 NQO1 (0.56) ACACB
SCHEMBL16448439 0.78 ESR1 (0.38) KDM4ECYP2D6SMN1; SMN2ALDH1A1LMNA
SCHEMBL10362438 0.77 NR5A1 (0.59) ACACBKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL16248363 0.77 ALDH1A1 (0.41) KDM4ECYP1A2CYP2D6SMN1; SMN2ALDH1A1

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
EP-0281941-B1 Coreactive photoinitiators CIBA GEIGY AG (CH) 1993-12-08 EP claimed