SCHEMBL8922080

SCHEMBL8922080

Cc1cc2c(c(C)c1O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
ACHE P22303 1/20 0.39
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
NLRP3 Q96P20 9/20 0.34
MAPT P10636 2/20 0.34
BCL2L1 Q07817 1/20 0.33
BAD Q92934 1/20 0.33
LMNA P02545 2/20 0.33
CYP2C9 P11712 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
ATM Q13315 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
POLB P06746 1/20 0.31

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
SCHEMBL2050854 0.83 MEN1 (0.43) MEN1KMT2AACHECA1CA2
SCHEMBL4888772 0.79 MAPT (0.37) MEN1KMT2ANLRP3MAPTLMNA
SCHEMBL21586529 0.79 MAPT (0.43) MEN1KMT2ANLRP3MAPTLMNA
SCHEMBL12057393 0.78 MEN1 (0.61) MEN1KMT2AACHECA1CA2
SCHEMBL11819015 0.78 MEN1 (0.47) MEN1KMT2AACHECA1CA2
SCHEMBL8742876 0.78 MEN1 (0.40) MEN1KMT2AACHENLRP3MAPT
SCHEMBL25067262 0.77 MEN1 (0.37) MEN1KMT2AACHENLRP3MAPT
Dimethylamine SCHEMBL11309528 0.77 MEN1 (0.37) MEN1KMT2AACHENLRP3ATM
SCHEMBL9810709 0.76 CA1 (0.39) MEN1KMT2AACHECA1CA2
SCHEMBL30891958 0.75 MEN1 (0.41) MEN1KMT2AACHECA1CA2

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
WO-1997020802-A1 INDANE DIMER COMPOUNDS AND THEIR PHARMACEUTICAL USE VENANTIUS LIMITED (IE) 1997-06-12 WO disclosed