SCHEMBL27449604

SCHEMBL27449604

CC(C)(C)c1ccc(O)c(O)c1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
GAA P10253 2/20 0.44
POLB P06746 1/20 0.44
GFER P55789 1/20 0.44
CA2 P00918 1/20 0.37
NPC1 O15118 2/20 0.36
ALDH1A1 P00352 6/20 0.35
MAPT P10636 5/20 0.35
DRD1 P21728 4/20 0.35
KDM4E B2RXH2 4/20 0.35
TDP1 Q9NUW8 3/20 0.35
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
HPGD P15428 2/20 0.35
MAPK1 P28482 2/20 0.35
CYP2D6 P10635 1/20 0.35
DRD2 P14416 1/20 0.35
NFKB1 P19838 1/20 0.35
CYP2C19 P33261 1/20 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
SCHEMBL548555 0.89 MEN1 (0.45) MEN1KMT2AGAAPOLBGFER
SCHEMBL27416252 0.86 MEN1 (0.46) MEN1KMT2AGAAPOLBGFER
SCHEMBL4677956 0.81 MEN1 (0.53) MEN1KMT2AGAAPOLBGFER
SCHEMBL549815 0.81 POLB (0.40) MEN1KMT2AGAAPOLBGFER
SCHEMBL549630 0.79 CA2 (0.40) MEN1KMT2AGAAPOLBGFER
SCHEMBL27419051 0.78 MEN1 (0.47) MEN1KMT2AGAAPOLBGFER
SCHEMBL549584 0.76 MEN1 (0.36) MEN1KMT2AGAAPOLBGFER
SCHEMBL549937 0.76 MEN1 (0.49) MEN1KMT2AGAAPOLBGFER
SCHEMBL548780 0.75 CA2 (0.38) MEN1KMT2AGAAPOLBGFER
SCHEMBL27480262 0.75 POLB (0.41) MEN1KMT2AGAAPOLBGFER

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