SCHEMBL11192501

SCHEMBL11192501

CC(C)=CC=CC(C)=CC=Cc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
GLA P06280 1/20 0.46
ALOX15 P16050 2/20 0.43
ALDH1A1 P00352 5/20 0.41
TSHR P16473 2/20 0.41
CYP3A4 P08684 1/20 0.41
LMNA P02545 3/20 0.41
TRPA1 O75762 1/20 0.41
ALOX5 P09917 1/20 0.41
MAPK1 P28482 1/20 0.41
HDAC3 O15379 2/20 0.41
HDAC4 P56524 2/20 0.41
HDAC1 Q13547 2/20 0.41
HDAC7 Q8WUI4 2/20 0.41
HDAC2 Q92769 2/20 0.41
HDAC10 Q969S8 2/20 0.41
HDAC11 Q96DB2 2/20 0.41
HDAC8 Q9BY41 2/20 0.41
HDAC6 Q9UBN7 2/20 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
SCHEMBL570012 0.88 MAOB (0.59) MAOBTDP1GLAALOX15ALDH1A1
SCHEMBL8675295 0.86 GLA (0.55) MAOBTDP1GLAALOX15ALDH1A1
SCHEMBL11322258 0.80 MAOB (0.61) MAOBTDP1GLAALOX15ALDH1A1
SCHEMBL23457949 0.80 GLA (0.57) MAOBTDP1GLAALOX15ALDH1A1
SCHEMBL23458032 0.80 GLA (0.57) MAOBTDP1GLAALOX15ALDH1A1
SCHEMBL8461885 0.79 TDP1 (0.52) MAOBTDP1GLAALOX15ALDH1A1
SCHEMBL8461888 0.79 TDP1 (0.52) MAOBTDP1GLAALOX15ALDH1A1
SCHEMBL5599268 0.77 ALDH1A1 (0.59) MAOBTDP1GLAALOX15ALDH1A1
SCHEMBL4471707 0.77 MAOB (0.50) MAOBTDP1GLAALOX15ALDH1A1
SCHEMBL6518363 0.77 MAOB (0.50) MAOBTDP1GLAALOX15ALDH1A1

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
EP-0071175-A2 Phenylalkyloxirane-carboxylic acids, process for their preparation, their use and medicines containing them Byk Gulden Lomberg Chemische Fabrik GmbH (DE) 1983-02-09 EP disclosed