SCHEMBL9065670

SCHEMBL9065670

CC(C)C1CCC(c2cc(Br)c(O)c(Br)c2)(c2cc(Br)c(O)c(Br)c2)CC1

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.36
ALDH1A1 P00352 2/20 0.34
CYP3A4 P08684 2/20 0.33
TSHR P16473 2/20 0.33
TDP1 Q9NUW8 2/20 0.33
HSD17B10 Q99714 2/20 0.32
HPGD P15428 1/20 0.32
ALOX15 P16050 1/20 0.32
ALOX12 P18054 1/20 0.32
CASP1 P29466 1/20 0.32
RECQL P46063 1/20 0.32
HIF1A Q16665 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31

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
SCHEMBL9074622 0.91 ACHE (0.33) ACHEALDH1A1
SCHEMBL9065939 0.84 ACHE (0.33) ACHEALDH1A1HSD17B10CYP2D6CYP2C9
SCHEMBL9075884 0.81 ACHE (0.36) ACHEALDH1A1HSD17B10CYP2D6CYP2C9
SCHEMBL2996266 0.81 ACHE (0.58) ACHE
SCHEMBL9066283 0.81 ALDH1A1 (0.40) ACHEALDH1A1CYP3A4TSHRTDP1
SCHEMBL9066691 0.80 ACHE (0.36) ACHEALDH1A1CYP3A4TSHRHSD17B10
SCHEMBL9074619 0.77 ACHE (0.33) ACHEALDH1A1HSD17B10CYP2D6CYP2C9
SCHEMBL9075093 0.77 TSHR (0.40) ACHEALDH1A1CYP3A4TSHRTDP1
SCHEMBL9074624 0.76 ACHE (0.41) ACHEALDH1A1HSD17B10CYP2D6CYP2C9
SCHEMBL9066194 0.75 CYP2D6 (0.41) ACHEALDH1A1CYP3A4TSHRTDP1

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
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