SCHEMBL8991649

SCHEMBL8991649

CC(C)=CCC/C(C)=C/C[CH]c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.55
PPARA Q07869 1/20 0.55
KMT2A Q03164 3/20 0.50
TRPV1 Q8NER1 2/20 0.48
CYP3A4 P08684 4/20 0.47
ALOX15 P16050 3/20 0.47
MEN1 O00255 2/20 0.47
MAPT P10636 4/20 0.47
LMNA P02545 2/20 0.47
CYP1A2 P05177 2/20 0.47
CYP2C9 P11712 2/20 0.47
HIF1A Q16665 2/20 0.47
ICMT O60725 1/20 0.47
GMNN O75496 1/20 0.47
TRPA1 O75762 1/20 0.47
POLB P06746 1/20 0.47
TSHR P16473 1/20 0.47
NFKB1 P19838 1/20 0.47
CDK2 P24941 1/20 0.47
RECQL P46063 1/20 0.47

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
SCHEMBL4261072 0.82 FBP1 (0.41) PPARGPPARAKMT2AALOX15MEN1
SCHEMBL17685642 0.81 PPARG (0.58) PPARGPPARAKMT2ATRPV1CYP3A4
SCHEMBL17685641 0.81 PPARG (0.58) PPARGPPARAKMT2ATRPV1CYP3A4
Farnesol SCHEMBL19555654 0.79 MAPT (0.61) PPARGPPARAKMT2ATRPV1CYP3A4
Squalene SCHEMBL27795631 0.78 KMT2A (0.65) KMT2ACYP3A4ALOX15MEN1MAPT
Citral SCHEMBL870746 0.77 ALDH1A1 (0.66) PPARGPPARAKMT2ATRPV1CYP3A4
SCHEMBL31310902 0.77 PPARG (0.57) PPARGPPARAKMT2ATRPV1CYP3A4
Citral SCHEMBL20856837 0.77 ALDH1A1 (0.66) PPARGPPARAKMT2ATRPV1CYP3A4
Styrene SCHEMBL17556617 0.77 PPARG (0.47) PPARGPPARAKMT2ATRPV1CYP3A4
SCHEMBL31670205 0.76 TRPV1 (0.56) PPARGPPARAKMT2ATRPV1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1050364-C 7-glycosyloxybenzopyran derivative and antiallergic agent containing the derivative as active ingredient DAINIPPON INK & CHEMICALS (JP) 2000-03-15 CN disclosed
US-5580552-A A 2,3-DIHYDROXY,7-GLYCOSYLCHROMAN-2-ONE DERIVATIVE DAINIPPON INK & CHEMICALS INC. (JP) 1996-12-03 US disclosed
CN-1124738-A 7-glycosyloxybenzopyran derivative and antiallergic agent containing the derivative as active ingredient DAINIPPON INK & CHEMICALS (JP) 1996-06-19 CN disclosed