SCHEMBL11468647

SCHEMBL11468647

Cc1ccc(C2(C)CC(=O)CC(C)(C)C2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.34
KMT2A Q03164 2/20 0.34
MAPT P10636 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
MGAT2 Q10469 1/20 0.34
MAOB P27338 4/20 0.33
MAOA P21397 2/20 0.33
CYP11B2 P19099 1/20 0.33
NPC1 O15118 1/20 0.33
GAA P10253 1/20 0.33
RAB9A P51151 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.32
PKM P14618 1/20 0.32
THRB P10828 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
SCHEMBL1516056 0.85 MMP2 (0.41) ALDH1A1KMT2AMAPTMEN1MGAT2
SCHEMBL11473105 0.85 ALDH1A1 (0.39) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL29088185 0.74 ALDH1A1 (0.36) ALDH1A1KMT2AMEN1MGAT2MAOB
SCHEMBL11475250 0.73 HDAC4 (0.35) ALDH1A1MAPTGAASMN1; SMN2
SCHEMBL12920578 0.73 MAOB (0.39) KMT2AMAPTMEN1HPGDMGAT2
SCHEMBL15356035 0.72 KMT2A (0.41) ALDH1A1KMT2AMEN1MAOBMAOA
SCHEMBL2946642 0.72 MGAT2 (0.36) ALDH1A1KMT2AMAPTMEN1HPGD
SCHEMBL638075 0.71 MAPT (0.36) ALDH1A1MAPTMAOAGAA
SCHEMBL9250653 0.69 ALDH1A1 (0.42) ALDH1A1MAOBMAOACYP11B2SLC6A2
SCHEMBL8297045 0.69 ACHE (0.44) ALDH1A1KMT2AMAOBMAOASMN1; SMN2

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
US-4187152-A Extractive distillation for separating ketones and/or alcohols from phenol and/or cresol ALLIED CHEMICAL CORPORATION (US) 1980-02-05 US disclosed