SCHEMBL9065646

SCHEMBL9065646

Cc1cc(C2(c3cc(C)c(O)c(Cl)c3)CCC(c3ccccc3)CC2)cc(Cl)c1O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.44
HSD11B1 P28845 5/20 0.38
ALDH1A1 P00352 3/20 0.37
ALOX15 P16050 2/20 0.37
GAA P10253 1/20 0.37
PKM P14618 1/20 0.37
HTT P42858 1/20 0.37
HSD17B10 Q99714 1/20 0.37
SPR P35270 1/20 0.36
TRPA1 O75762 1/20 0.36
ESR2 Q92731 3/20 0.36
ESR1 P03372 2/20 0.36
NPC1 O15118 1/20 0.36
NFKB1 P19838 1/20 0.36
RAB9A P51151 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 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
SCHEMBL9075391 0.91 ACHE (0.53) ACHEHSD11B1ALDH1A1ALOX15TRPA1
SCHEMBL9065627 0.90 HSD11B1 (0.42) HSD11B1GAASPRTRPA1ESR2
SCHEMBL9066299 0.80 ESR2 (0.59) ACHEHSD11B1ALDH1A1TRPA1ESR2
SCHEMBL8410883 0.80 ACHE (0.60) ACHEALDH1A1ALOX15GAAPKM
SCHEMBL3192802 0.80 ESR2 (0.54) ACHEESR2ESR1
SCHEMBL9066456 0.77 CRHBP (0.41) HSD11B1SPRTRPA1ESR2ESR1
SCHEMBL297822 0.76 ACHE (0.76) ACHEALDH1A1ALOX15GAAHTT
SCHEMBL10799203 0.76 ACHE (0.76) ACHEALDH1A1ALOX15GAAHTT
SCHEMBL10787766 0.76 ACHE (0.76) ACHEALDH1A1ALOX15GAAHTT
SCHEMBL30442737 0.76 ACHE (0.76) ACHEALDH1A1ALOX15GAAHTT

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 5 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-0469404-B1 Polyestercarbonates based on 1,1-bis-(4-hydroxyphenyl)-alkylcycloalkanes and thermoplastic blends thereof BAYER AG (DE) 1996-02-28 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
US-5010163-A Molding materials BAYER AKTIENGESELLSCHAFT (DE) 1991-04-23 US disclosed
EP-0374630-A2 Polycarbonates from cyclohexylidene diphenols BAYER AG (DE) 1990-06-27 EP disclosed