SCHEMBL9065904

SCHEMBL9065904

CC(C)c1ccc(C2CC(c3ccc(C(C)C)cc3)CC(c3ccc(O)cc3)(c3ccc(O)cc3)C2)cc1

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ESR2 Q92731 15/20 0.39
ESR1 P03372 8/20 0.39
HPGD P15428 1/20 0.38
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
MAPT P10636 2/20 0.35
KMT2A Q03164 1/20 0.35
MGLL Q99685 1/20 0.34

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
SCHEMBL16581372 0.81 ESR2 (0.41) ESR2ESR1MAPT
SCHEMBL16581400 0.80 ESR2 (0.53) ESR2ESR1
SCHEMBL9066250 0.79 ESR2 (0.42) ESR2ESR1MAPT
SCHEMBL16581452 0.76 ESR2 (0.39) ESR2ESR1
SCHEMBL9065901 0.74 ESR1 (0.37) ESR2ESR1HPGDMAPT
SCHEMBL2953804 0.70 ESR2 (0.54) ESR2ESR1
SCHEMBL9437447 0.70 ESR2 (0.56) ESR2ESR1HPGDMAPTKMT2A
SCHEMBL28954 0.70 ESR1 (0.68) ESR2ESR1HPGDPDCD1CD274
Hydroquinone SCHEMBL9580215 0.70 ESR1 (0.68) ESR2ESR1HPGDPDCD1CD274
SCHEMBL16581404 0.68 ESR2 (0.55) ESR2ESR1

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