SCHEMBL9075261

SCHEMBL9075261

CC(C)(C)C1CCC(c2ccc(O)c(Cl)c2)(c2ccc(O)c(Cl)c2)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.41
ESR2 Q92731 2/20 0.41
TSHR P16473 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SLC6A4 P31645 7/20 0.33
SLC6A3 Q01959 7/20 0.33
CA1 P00915 2/20 0.33
CA2 P00918 2/20 0.33
DHFR P00374 1/20 0.33
TYMS P04818 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
CYP2D6 P10635 1/20 0.32
PRKCZ Q05513 1/20 0.32

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
SCHEMBL9073517 0.85 ESR1 (0.37) ESR1ESR2TSHRHSD17B10SLC6A4
SCHEMBL9075413 0.83 ESR1 (0.63) ESR1ESR2USP2ALDH1A1GAA
SCHEMBL9073978 0.83 ACHE (0.36) TSHRHSD17B10SLC6A4SLC6A3USP2
SCHEMBL9066311 0.83 ESR2 (0.45) ESR1ESR2TSHRHSD17B10SLC6A4
SCHEMBL2498416 0.77 ESR2 (0.53) ESR1ESR2TSHRHSD17B10SLC6A4
SCHEMBL17636602 0.76 ESR1 (0.45) ESR1ESR2HSD17B10ALDH1A1GAA
SCHEMBL13609080 0.76 TSHR (0.38) ESR1ESR2TSHRHSD17B10SLC6A4
SCHEMBL6451503 0.76 SLC6A4 (0.36) TSHRHSD17B10SLC6A4SLC6A3CA1
SCHEMBL6056663 0.76 ESR1 (0.38) ESR1ESR2TSHRHSD17B10SLC6A4
SCHEMBL68775 0.75 ESR1 (0.62) ESR1ESR2TSHRHSD17B10SLC6A4

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-0469403-B1 High molecular weight polyester based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1996-02-28 EP disclosed
EP-0374656-B1 POLYCARBONATES FROM ALKYL CYCLOHEXYLIDENE DIPHENOLS BAYER AG (DE) 1993-03-17 EP disclosed
EP-0469404-A2 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1992-02-05 EP disclosed
EP-0469403-A2 High molecular weight polyester based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1992-02-05 EP disclosed
US-5034457-A Polycarbonate for use in molding materials for laminated films and for electronics BAYER AKTIENGESELLSCHAFT (DE) 1991-07-23 US disclosed
US-5010162-A Polycarbonate of alkyl cyclohexylidene bisphenol BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed