SCHEMBL11010367

SCHEMBL11010367

CCCc1ccc(C(=O)C2CCC(C(=O)c3ccc(CCC)cc3)CC2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 4/20 0.58
PLK1 P53350 1/20 0.53
THRB P10828 2/20 0.51
HTR2A P28223 3/20 0.51
HTR2C P28335 2/20 0.51
HTR7 P34969 2/20 0.51
HTR6 P50406 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.50
THRA P10827 1/20 0.50
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
FAAH O00519 1/20 0.48
POLB P06746 2/20 0.47
CTDSP1 Q9GZU7 2/20 0.47
ALDH1A1 P00352 2/20 0.47
KDM4E B2RXH2 1/20 0.47
GAA P10253 1/20 0.47
MAPT P10636 2/20 0.46
KMT2A Q03164 1/20 0.46
KCNH2 Q12809 2/20 0.46

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
SCHEMBL11010359 1.00 MGLL (0.58) MGLLPLK1THRBHTR2AHTR2C
SCHEMBL28675479 0.91 MGLL (0.54) MGLLPLK1THRBHTR2AHTR2C
SCHEMBL6622933 0.89 MEN1 (0.62) MGLLPLK1THRBHTR2AHTR2C
SCHEMBL3678830 0.85 MGLL (0.56) MGLLPLK1HTR2AHTR2CHTR7
SCHEMBL27458452 0.81 HTR2A (0.51) MGLLHTR2AHTR2CHTR7HTR6
SCHEMBL19754954 0.80 KMT2A (0.53) MGLLHTR2AHTR2CHTR7HTR6
SCHEMBL13084751 0.78 NPC1 (0.49) MGLLHTR2AHTR2CHTR7HTR6
SCHEMBL2763482 0.77 HTR2A (0.48) HTR2AHTR2CHTR7HTR6NPC1
SCHEMBL28975172 0.77 HTR2A (0.45) MGLLHTR2AHTR2CHTR7HTR6
SCHEMBL3676771 0.77 CES2 (0.50) HTR2AHTR2CHTR7HTR6NPC1

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-0131837-A1 Liquid crystalline compounds MERCK PATENT GmbH (DE) 1985-01-23 EP disclosed