SCHEMBL10698635

SCHEMBL10698635

C/C=C(\c1ccc(C(C)C)cc1)C(c1ccc(O)cc1)c1ccc(OCCN(C)C)cc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ESRRB O95718 6/20 0.52
ESR1 P03372 16/20 0.49
ESR2 Q92731 7/20 0.49
ESRRG P62508 8/20 0.47
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
LMNA P02545 1/20 0.47
TP53 P04637 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
HIF1A Q16665 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
PLD2 O14939 1/20 0.47
PGR P06401 1/20 0.47
PLD1 Q13393 1/20 0.47
ESRRA P11474 1/20 0.44
HDAC6 Q9UBN7 1/20 0.43

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
SCHEMBL10696281 1.00 ESRRB (0.52) ESRRBESR1ESR2ESRRGKDM4E
SCHEMBL11567557 0.92 ESR1 (0.48) ESRRBESR1ESR2ESRRGKDM4E
SCHEMBL11567221 0.92 ESR1 (0.48) ESRRBESR1ESR2ESRRGKDM4E
SCHEMBL11565218 0.91 ESR1 (0.49) ESRRBESR1ESR2ESRRGKDM4E
SCHEMBL11570305 0.91 ESR1 (0.49) ESRRBESR1ESR2ESRRGKDM4E
SCHEMBL11567007 0.89 ESR1 (0.48) ESRRBESR1ESR2ESRRGKDM4E
SCHEMBL4543424 0.89 ESR1 (0.59) ESRRBESR1ESR2ESRRGKDM4E
SCHEMBL10698397 0.85 GBA1 (0.41) ESRRBESR1ESR2ESRRGMEN1
SCHEMBL2710225 0.83 CYP2D6 (0.55) ESRRBESR1ESR2ESRRGKDM4E
SCHEMBL7929087 0.83 CYP2D6 (0.55) ESRRBESR1ESR2ESRRGKDM4E

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-0272330-A1 1,1,2-TRIARYL-1-BUTENE DERIVATIVES TAIHO PHARMACEUTICAL COMPANY LIMITED (JP) 1988-06-29 EP disclosed