SCHEMBL5157323

SCHEMBL5157323

CC(C)(c1ccc(O)cc1)c1ccc(OC(=O)C(=CCC2CO2)CC2CO2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.43
TSHR P16473 3/20 0.43
MAPT P10636 3/20 0.43
ALDH1A1 P00352 3/20 0.43
TP53 P04637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
CYP1A2 P05177 1/20 0.43
PPARG P37231 1/20 0.43
HIF1A Q16665 1/20 0.43
MIF P14174 3/20 0.40
ESR1 P03372 3/20 0.36
ESR2 Q92731 3/20 0.36
CYP3A4 P08684 2/20 0.36
AR P10275 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
HTR6 P50406 1/20 0.36
ESRRG P62508 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL364685 0.75 ALDH1A1 (0.45) HPGDTSHRMAPTALDH1A1TP53
Bisphenol A SCHEMBL29483356 0.75 HPGD (0.43) HPGDTSHRMAPTALDH1A1TP53
SCHEMBL1255106 0.74 ALDH1A1 (0.44) HPGDTSHRMAPTALDH1A1TP53
SCHEMBL3389975 0.74 KMT2A (0.44) HPGDTSHRMAPTALDH1A1TP53
SCHEMBL7923720 0.74 KMT2A (0.50) HPGDTSHRMAPTALDH1A1TP53
SCHEMBL9237285 0.73 ALDH1A1 (0.45) HPGDTSHRMAPTALDH1A1TP53
SCHEMBL9011361 0.73 ALDH1A1 (0.51) HPGDTSHRMAPTALDH1A1TP53
SCHEMBL7633166 0.72 HPGD (0.45) HPGDTSHRMAPTALDH1A1TP53
Bicarbonate SCHEMBL10771552 0.72 TSHR (0.53) HPGDTSHRMAPTALDH1A1TP53
Bisphenol A SCHEMBL30080953 0.72 ESR1 (0.44) HPGDTSHRMAPTALDH1A1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1428492-B1 Light curing type paint resin for shade adjustment HERAEUS KULZER GMBH (DE) 2007-01-17 EP claimed
US-5376691-A A radiopaque curable pressed mixture of two pastes, the first paste containing a difunctional acrylates, a radiopaque filler , second paste containing a nonpolymerizable softener and a polymerization catalysts; bubble free, break-resistance Ernst Muhlbaner KG (DE) 1994-12-27 US claimed
EP-3064194-B1 DENTAL COLOR TONE ADJUSTMENT MATERIAL KIT KURARAY NORITAKE DENTAL INC (JP) 2018-05-23 EP disclosed
US-9675527-B2 Dental color tone adjustment material kit KURARAY NORITAKE DENTAL INC. (JP) 2017-06-13 US disclosed
EP-3064194-A1 DENTAL COLOR TONE ADJUSTMENT MATERIAL KIT Kuraray Noritake Dental Inc. (JP) 2016-09-07 EP disclosed
US-20160250107-A1 DENTAL COLOR TONE ADJUSTMENT MATERIAL KIT KURARAY NORITAKE DENTAL INC. (JP) 2016-09-01 US disclosed