SCHEMBL9065901

SCHEMBL9065901

CC(C)c1ccccc1C1CC(c2ccccc2C(C)C)CC(c2ccc(O)cc2)(c2ccc(O)cc2)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 3/20 0.37
ESR2 Q92731 3/20 0.37
GABRA1 P14867 2/20 0.36
GABRB2 P47870 2/20 0.36
SOAT1 P35610 1/20 0.34
FAAH O00519 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
HPGD P15428 1/20 0.33
TSHR P16473 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRG2 P18507 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33

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
SCHEMBL9066286 0.84 ESR2 (0.41) ESR1ESR2GABRA1GABRB2SOAT1
SCHEMBL9073788 0.75 SOAT1 (0.33) ESR1ESR2GABRA1GABRB2SOAT1
SCHEMBL9065904 0.74 ESR2 (0.39) ESR1ESR2HPGDMAPT
SCHEMBL9066250 0.73 ESR2 (0.42) ESR1ESR2GRIN2BMAPT
SCHEMBL16581372 0.72 ESR2 (0.41) ESR1ESR2CYP3A4GRIN2BMAPT
SCHEMBL27259988 0.69 ADRA2A (0.47) GABRA1GABRB2FAAHCA1CA2
SCHEMBL9437447 0.68 ESR2 (0.56) ESR1ESR2CA1CA2LMNA
SCHEMBL9073371 0.67 ESR1 (0.51) ESR1ESR2GABRA1GABRB2LMNA
SCHEMBL9075536 0.66 ACHE (0.45) ESR1ESR2GABRA1GABRB2FAAH
SCHEMBL19523190 0.66 ADRA2A (0.42) GABRA1GABRB2FAAHCA1CA2

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 3 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