SCHEMBL28301640

SCHEMBL28301640

CC(C)Cc1ccc(CC(C)C)c(-c2ccc(O)cc2)c1CC(C)C

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.41
GABRB2 P47870 2/20 0.41
ESR1 P03372 6/20 0.38
ESR2 Q92731 6/20 0.38
SENP1 Q9P0U3 1/20 0.38
BCL2 P10415 1/20 0.38
MCL1 Q07820 1/20 0.38
BAD Q92934 1/20 0.38
TAAR1 Q96RJ0 3/20 0.36
SLC6A2 P23975 1/20 0.36
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 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
SCHEMBL28329969 0.81 GABRA1 (0.59) GABRA1GABRB2ESR1ESR2SENP1
SCHEMBL28093151 0.75 GABRA1 (0.53) GABRA1GABRB2ESR1ESR2SENP1
SCHEMBL28225281 0.75 SENP1 (0.42) GABRA1GABRB2ESR1ESR2SENP1
SCHEMBL248342 0.73 GABRA1 (0.48) GABRA1GABRB2ESR1
SCHEMBL29079425 0.72 GABRA1 (0.61) GABRA1GABRB2ESR1BCL2MCL1
SCHEMBL276132 0.71 GABRA1 (0.52) GABRA1GABRB2ESR1SLC6A2PDE4D
SCHEMBL31015759 0.69 GABRA1 (0.52) GABRA1GABRB2ESR1SLC6A2PDE4D
SCHEMBL8492143 0.69 GABRA1 (0.52) GABRA1GABRB2ESR2
SCHEMBL28714083 0.69 GABRA1 (0.42) GABRA1GABRB2ESR1ESR2TAAR1
SCHEMBL3816880 0.69 GABRA1 (0.59) GABRA1GABRB2ESR1ESR2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109929103-A A kind of manufacturing method of high inherent viscosity polyphenylene oxide 埃得新材料有限公司 2019-06-25 CN disclosed