SCHEMBL6274804

SCHEMBL6274804

CC(C)(C)C1CCC(=CC(=O)O)CC1.CC(C)(C)C1CCC(=O)CC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GLA P06280 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.33
CES2 O00748 1/20 0.33
KDM4E B2RXH2 4/20 0.32
MEN1 O00255 2/20 0.32
KMT2A Q03164 2/20 0.32
MAPT P10636 4/20 0.32
ALDH1A1 P00352 4/20 0.32
LMNA P02545 2/20 0.32
EPHX1 P07099 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
ALOX15 P16050 1/20 0.31
ANO1 Q5XXA6 1/20 0.31
PLA2G7 Q13093 1/20 0.30
NPC1 O15118 2/20 0.30
RAB9A P51151 2/20 0.30
ATM Q13315 1/20 0.30

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
SCHEMBL6712596 0.93 GLA (0.37) GLASMN1; SMN2CES2KDM4EMEN1
SCHEMBL41691 0.79 ALDH1A1 (0.40) GLASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL29242026 0.77 MEN1 (0.37) GLASMN1; SMN2CES2KDM4EMEN1
SCHEMBL3836552 0.74 HK2 (0.44) PLA2G7NPC1RAB9A
SCHEMBL7776727 0.74 SMN1; SMN2 (0.36) GLASMN1; SMN2KDM4EMEN1KMT2A
SCHEMBL30659844 0.72 ITGB3 (0.39) ALDH1A1PLA2G7NPC1RAB9A
SCHEMBL7310223 0.71 TSHR (0.34) ALDH1A1GAAPLA2G7
SCHEMBL15106032 0.70 CES2 (0.38) CES2ALDH1A1LMNA
SCHEMBL6741817 0.70 TRIM24 (0.43) SMN1; SMN2KDM4EMEN1KMT2AMAPT
Ethylene SCHEMBL7308236 0.69 ITGB3 (0.37) PLA2G7

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
EP-1606244-A2 CYCLOALKYLAMIDES AND THEIR THERAPEUTIC USE AS ANTIEPILEPTIC AND ANTICONVULSANT Abbott Laboratories (US) 2005-12-21 EP disclosed
WO-2004037769-A2 CYCLOALKYLAMIDES AND THEIR THERAPEUTIC USE AS ANTIEPILEPTIC AND ANTICONVULSANT ABBOTT LABORATORIES (US) 2004-05-06 WO disclosed