SCHEMBL8007516

SCHEMBL8007516

CC(O)(O)c1ccc(C(C)(C)c2ccc(C(C)(O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 5/20 0.60
ESR2 Q92731 4/20 0.60
TSHR P16473 4/20 0.60
HPGD P15428 4/20 0.60
CYP3A4 P08684 3/20 0.60
HSD17B10 Q99714 3/20 0.60
AR P10275 1/20 0.60
SLC6A2 P23975 1/20 0.60
SLC6A4 P31645 1/20 0.60
HTR6 P50406 1/20 0.60
ESRRG P62508 1/20 0.60
SLC6A3 Q01959 1/20 0.60
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
KLF10 Q13118 1/20 0.38
ALOX15 P16050 3/20 0.35
ALOX12 P18054 2/20 0.35

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
SCHEMBL2375798 0.90 MEN1 (0.48) ESR1ESR2TSHRHPGDCYP3A4
SCHEMBL4850356 0.81 ESR1 (0.60) ESR1ESR2TSHRHPGDCYP3A4
SCHEMBL4386412 0.79 TSHR (0.60) ESR1ESR2TSHRHPGDCYP3A4
SCHEMBL20673138 0.79 ESR1 (0.65) ESR1ESR2TSHRHPGDCYP3A4
SCHEMBL8071364 0.77 HSD11B1 (0.52) CYP3A4ALDH1A1MEN1KMT2ALMNA
SCHEMBL22928474 0.77 KIF11 (0.48) TSHRALDH1A1
SCHEMBL18911463 0.77 CYP2A6 (0.44) ESR1ESR2TSHRHPGDCYP3A4
SCHEMBL4297794 0.77 MEN1 (0.71) TSHRMEN1KMT2ALMNAHIF1A
Bisphenol A SCHEMBL15062 0.75 ESR1 (1.00) ESR1ESR2TSHRHPGDCYP3A4
Bisphenol A SCHEMBL3170263 0.75 ESR1 (1.00) ESR1ESR2TSHRHPGDCYP3A4

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-0666184-B1 PRINTING PLATE MATERIAL AND PROCESS FOR PRODUCING THE SAME DAICEL CHEM (JP) 2000-11-08 EP disclosed
US-6030712-A FORMATION OF PHOTOSENSITIVE LAYER COMPRISING NITROCELLULOSE, A BLACK COLORING AGENT, E.G. CARBON BLACK, AND AN ORGANIC BINDER COMPRISING A POLYESTER DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 2000-02-29 US disclosed
US-5942320-A COMPRISING BASE FILM LAYER, ANCHOR COAT LAYER, INORGANIC LAYER AND BARRIER RESIN LAYER CONTAINING SILANE COUPLING AGENT; PRESERVING DRIED FOODS, PACKAGING USE IN PHARMACEUTICAL AND ELECTRONICS INDUSTRIES DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1999-08-24 US disclosed
US-5853862-A Barrier composite films and method of producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-12-29 US disclosed
EP-0829507-A2 Barrier composite films and a method for producing the same DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-18 EP disclosed
EP-0666184-A1 PRINTING PLATE MATERIAL AND PROCESS FOR PRODUCING THE SAME DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1995-08-09 EP disclosed