SCHEMBL587407

SCHEMBL587407

CC(C)(C)OC(=O)n1cc(C2CC2)c2ccccc21

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.53
PIM1 P11309 1/20 0.52
MARK3 P27448 1/20 0.52
MAP4K2 Q12851 1/20 0.52
CAMK2B Q13554 1/20 0.52
PIM3 Q86V86 1/20 0.52
PIM2 Q9P1W9 1/20 0.52
EPHX1 P07099 1/20 0.51
BRD4 O60885 1/20 0.47
CREBBP Q92793 1/20 0.47
ACHE P22303 1/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
POLB P06746 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
CHRM1 P11229 1/20 0.43
CHRM3 P20309 1/20 0.43
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41

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
SCHEMBL31358176 0.86 SCN9A (0.53) L3MBTL1PIM1MARK3MAP4K2CAMK2B
Oxalic Acid SCHEMBL6100151 0.83 HTR6 (0.53) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL17429448 0.83 BRD4 (0.41) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL24723379 0.81 L3MBTL1 (0.46) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL27029550 0.80 L3MBTL1 (0.49) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL558066 0.79 SCN9A (0.61) MEN1KMT2ACHRM2CHRM4CHRM1
SCHEMBL1196430 0.79 L3MBTL1 (0.59) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL21246906 0.79 L3MBTL1 (0.59) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL21259294 0.79 L3MBTL1 (0.59) L3MBTL1PIM1MARK3MAP4K2CAMK2B
SCHEMBL1196432 0.79 L3MBTL1 (0.62) L3MBTL1PIM1MARK3MAP4K2CAMK2B

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-2417122-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT PTC Therapeutics, Inc. (US) 2012-02-15 EP disclosed
WO-2010117932-A1 INDOLE DERIVATIVES AND METHODS FOR ANTIVIRAL TREATMENT SCHERING CORPORATION (US) 2010-10-14 WO disclosed