SCHEMBL9838136

SCHEMBL9838136

COc1ccc(/C(=C\c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.79
ALDH1A1 P00352 3/20 0.79
KDM4E B2RXH2 1/20 0.79
HPGD P15428 1/20 0.79
CYP2D6 P10635 1/20 0.59
ESR1 P03372 2/20 0.58
CES2 O00748 1/20 0.56
CES1 P23141 1/20 0.56
TRPA1 O75762 1/20 0.55
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
HSPD1 P10809 1/20 0.54
TNFRSF1A P19438 1/20 0.54
MAOB P27338 1/20 0.54
HSPE1 P61604 1/20 0.54
CYP1B1 Q16678 1/20 0.54
CYP19A1 P11511 3/20 0.52
CYP11B2 P19099 2/20 0.52
ESR2 Q92731 1/20 0.51
BCHE P06276 1/20 0.50

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
SCHEMBL23377537 1.00 MAPT (0.79) MAPTALDH1A1KDM4EHPGDCYP2D6
SCHEMBL9838141 1.00 MAPT (0.79) MAPTALDH1A1KDM4EHPGDCYP2D6
SCHEMBL8614831 0.98 ALDH1A1 (0.81) MAPTALDH1A1KDM4EHPGDCYP2D6
SCHEMBL8049689 0.96 MAPT (0.85) MAPTALDH1A1KDM4EHPGDCYP2D6
SCHEMBL1304422 0.96 MAPT (0.85) MAPTALDH1A1KDM4EHPGDCYP2D6
SCHEMBL8049692 0.96 MAPT (0.85) MAPTALDH1A1KDM4EHPGDCYP2D6
SCHEMBL1304425 0.96 MAPT (0.85) MAPTALDH1A1KDM4EHPGDCYP2D6
SCHEMBL14391815 0.91 ESR1 (0.73) MAPTALDH1A1KDM4EHPGDCYP2D6
SCHEMBL13070554 0.90 KDM4E (0.74) MAPTALDH1A1KDM4EHPGDCYP2D6
SCHEMBL11311833 0.89 MAPT (0.73) MAPTALDH1A1KDM4EHPGDCYP2D6

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-5015666-A With hydroxy or alkoxy substituents on the triarylcyclopropanes Board of Reagents of the University of Oklahoma (US) 1991-05-14 US disclosed