SCHEMBL9066254

SCHEMBL9066254

CCC(C)(C)C1CCCC(c2cc(Cl)c(O)c(Cl)c2)(c2cc(Cl)c(O)c(Cl)c2)C1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 7/20 0.33
SLC6A4 P31645 5/20 0.33
SLC6A2 P23975 1/20 0.33
ACHE P22303 1/20 0.33
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
KDM4E B2RXH2 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
SCHEMBL9066123 0.86 ACHE (0.36) SLC6A3SLC6A4SLC6A2ACHECYP2D6
SCHEMBL9066042 0.85 ACHE (0.50) ACHECYP2D6CYP2C9KDM4E
SCHEMBL9066140 0.84 HSD17B10 (0.33) ACHECYP2D6CYP2C9TSHRKDM4E
SCHEMBL9074164 0.83 KDM4E (0.36) SLC6A3SLC6A4ACHECYP2D6CYP2C9
SCHEMBL9066174 0.80 ESR2 (0.46) SLC6A3SLC6A4SLC6A2TSHRKDM4E
SCHEMBL9065923 0.77 ESR1 (0.55) ACHE
SCHEMBL9066478 0.76 ACHE (0.39) SLC6A3SLC6A4SLC6A2ACHECYP2D6
SCHEMBL9074141 0.72 ACHE (0.36) SLC6A3SLC6A4SLC6A2ACHECYP2D6
SCHEMBL9074384 0.71 ACHE (0.32) ACHECYP2D6CYP2C9TSHR
SCHEMBL9073978 0.71 ACHE (0.36) SLC6A3SLC6A4ACHECYP2D6CYP2C9

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
EP-0374656-A2 Polycarbonates from alkyl cyclohexylidene diphenols BAYER AG (DE) 1990-06-27 EP disclosed