SCHEMBL27417752

SCHEMBL27417752

Cc1cc(C23CC4CC(CC(C4)C2)C3)c(C(C)C)cc1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 1/20 0.39
GAA P10253 1/20 0.39
GFER P55789 1/20 0.39
ACHE P22303 3/20 0.37
CNR2 P34972 2/20 0.36
RARA P10276 4/20 0.35
IKBKB O14920 2/20 0.35
RARB P10826 4/20 0.35
RARG P13631 3/20 0.35
LMNA P02545 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
CYP3A4 P08684 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX15 P16050 1/20 0.34
ALOX12 P18054 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
SCHEMBL549463 0.84 MEN1 (0.41) MEN1KMT2APOLBGAAGFER
SCHEMBL548705 0.83 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL27448235 0.82 MEN1 (0.44) MEN1KMT2APOLBGAAGFER
SCHEMBL27416248 0.81 LMNA (0.45) MEN1KMT2APOLBGAAGFER
SCHEMBL548527 0.79 MEN1 (0.42) MEN1KMT2APOLBGAAGFER
SCHEMBL549423 0.75 MEN1 (0.39) MEN1KMT2APOLBGAAGFER
SCHEMBL549772 0.75 MEN1 (0.44) MEN1KMT2APOLBGAAGFER
SCHEMBL549203 0.74 RARA (0.35) MEN1KMT2APOLBGAAGFER
SCHEMBL549515 0.73 MEN1 (0.40) MEN1KMT2APOLBGAAGFER
SCHEMBL548704 0.73 MEN1 (0.34) 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