SCHEMBL17135356

SCHEMBL17135356

COC(OC)(c1ccccc1)C(O)(c1ccccc1)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ CES1 P23141 1/20 0.42
▸ KCNN4 O15554 3/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ ALOX15 P16050 1/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ TSHR P16473 1/20 0.37
▸ ESR1 P03372 2/20 0.35
▸ ESR2 Q92731 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ SRC P12931 1/20 0.34
▸ GAA P10253 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
SCHEMBL10710208 0.82 ALDH1A1 (0.46) CES1KCNN4ALDH1A1ALOX15MAPK1
Methoxymethane SCHEMBL2856857 0.80 KCNN4 (0.48) CES1KCNN4ALDH1A1ALOX15MAPK1
SCHEMBL17135268 0.80 ALDH1A1 (0.45) CES1KCNN4ALDH1A1ALOX15MAPK1
SCHEMBL2856854 0.77 CES1 (0.42) CES1KCNN4ALDH1A1ALOX15MAPK1
SCHEMBL18259095 0.77 CES1 (0.52) CES1KCNN4ALDH1A1ALOX15TSHR
SCHEMBL17135262 0.74 MAPK1 (0.41) CES1KCNN4ALDH1A1ALOX15MAPK1
SCHEMBL7173455 0.74 CYP1A2 (0.48) KCNN4ALDH1A1ALOX15MAPK1CYP3A4
SCHEMBL36629 0.74 CYP1A2 (0.48) KCNN4ALDH1A1ALOX15MAPK1CYP3A4
SCHEMBL4372562 0.73 CES1 (0.47) CES1KCNN4ALDH1A1ALOX15MAPK1
SCHEMBL28117527 0.73 CES1 (0.47) CES1KCNN4ALDH1A1ALOX15MAPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2927302-A1 FLAME RETARDANT COMPOSITION BASED ON SUBSTITUTED DI-, TRI- AND TETRA ARYLETHANE COMPOUNDS BASF SE (DE) 2015-10-07 — — EP disclosed
EP-2927302-A1 FLAME RETARDANT COMPOSITION BASED ON SUBSTITUTED DI-, TRI- AND TETRA ARYLETHANE COMPOUNDS BASF SE (DE) 2015-10-07 — — EP disclosed
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