SCHEMBL27418461

SCHEMBL27418461

Cc1c(O)cccc1C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
GFER P55789 1/20 0.43
ATM Q13315 2/20 0.41
TRPA1 O75762 1/20 0.41
RARB P10826 4/20 0.39
RARA P10276 4/20 0.38
RARG P13631 3/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
HPGD P15428 2/20 0.37
ALOX12 P18054 2/20 0.37
HSD17B10 Q99714 2/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
TP53 P04637 1/20 0.37

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
SCHEMBL27480261 0.85 MEN1 (0.38) MEN1KMT2APOLBGAAGFER
SCHEMBL11547067 0.81 MAPT (0.41) MEN1KMT2AATMTRPA1ALDH1A1
SCHEMBL549642 0.81 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL3759976 0.81 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL29809124 0.81 MEN1 (0.48) MEN1KMT2APOLBGAAGFER
SCHEMBL345587 0.81 MEN1 (0.48) MEN1KMT2APOLBGAAGFER
SCHEMBL548724 0.81 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL548756 0.81 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL548737 0.79 MEN1 (0.46) MEN1KMT2APOLBGAAGFER
SCHEMBL27199192 0.79 MEN1 (0.47) 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