SCHEMBL27448682

SCHEMBL27448682

CC(C)(C)c1c(O)cccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 5/20 0.40
KMT2A Q03164 5/20 0.40
POLB P06746 1/20 0.40
GAA P10253 1/20 0.40
GFER P55789 1/20 0.40
RARB P10826 4/20 0.38
RARA P10276 3/20 0.38
RARG P13631 3/20 0.38
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
ALDH1A1 P00352 4/20 0.35
KDM4E B2RXH2 2/20 0.35
MAPT P10636 2/20 0.35

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
SCHEMBL548980 0.83 MEN1 (0.42) MEN1KMT2APOLBGAAGFER
SCHEMBL548777 0.80 MEN1 (0.39) MEN1KMT2APOLBGAAGFER
SCHEMBL27418461 0.78 MEN1 (0.43) MEN1KMT2APOLBGAAGFER
SCHEMBL549642 0.78 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL3759976 0.78 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL27449140 0.77 CA2 (0.50) MEN1KMT2APOLBGAAGFER
SCHEMBL345587 0.77 MEN1 (0.48) MEN1KMT2APOLBGAAGFER
SCHEMBL29809124 0.77 MEN1 (0.48) MEN1KMT2APOLBGAAGFER
SCHEMBL549878 0.76 MEN1 (0.39) MEN1KMT2APOLBGAAGFER
SCHEMBL548538 0.76 MEN1 (0.39) MEN1KMT2APOLBGAAGFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101547885-A Adamantane derivative, process for producing the same, and resin composition containing adamantane derivative IDEMITSU KOSAN CO (JP) 2009-09-30 CN disclosed
CN-1117966-A Biphenyl derivatives EISAI CO LTD (JP) 1996-03-06 CN disclosed