SCHEMBL20898144

SCHEMBL20898144

C[C@@H](Cc1ccc(CC(c2ccc(O)cc2)c2ccc(O)cc2)cc1)c1ccc(O)cc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 14/20 0.85
ESR2 Q92731 14/20 0.85
TAAR1 Q96RJ0 3/20 0.52
SLC6A2 P23975 1/20 0.52
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
PDCD1 Q15116 1/20 0.45
CD274 Q9NZQ7 1/20 0.45

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
SCHEMBL9068280 1.00 ESR1 (0.85) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL6686176 0.95 ESR1 (0.76) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL1171038 0.92 ESR1 (1.00) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL9810145 0.92 ESR1 (1.00) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL547164 0.92 ESR1 (1.00) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL296781 0.92 ESR1 (1.00) ESR1ESR2TAAR1SLC6A2MEN1
Ammonia Solution, Strong SCHEMBL5329244 0.90 ESR1 (0.96) ESR1ESR2TAAR1SLC6A2MEN1
SCHEMBL231792 0.88 ESR1 (0.61) ESR1ESR2TAAR1SLC6A2MEN1
Ammonia Solution, Strong SCHEMBL8976244 0.87 ESR1 (0.81) ESR1ESR2TAAR1SLC6A2
SCHEMBL4905759 0.86 ESR1 (0.88) ESR1ESR2TAAR1SLC6A2MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020187685-A1 POSITIVE TYPE PHOTOSENSITIVE POLYSILOXANE COMPOSITION MERCK PATENT GMBH (DE) 2020-09-24 WO disclosed
EP-3695199-A1 AN ELECTRICAL COMPONENT GH Innovation Limited (GB) 2020-08-19 EP disclosed
WO-2020109347-A1 ACRYLIC POLYMERIZED POLYSILOXANE, COMPOSITION COMPRISING THE SAME, AND CURED FILM PRODUCED USING THE SAME MERCK PATENT GMBH (DE) 2020-06-04 WO disclosed
WO-2019073217-A1 AN ELECTRICAL COMPONENT GH Innovation Limited (GB) 2019-04-18 WO disclosed