SCHEMBL6512357

SCHEMBL6512357

Cc1cccc(CN(CCC(=O)O)Cc2cccc(Cc3ccccc3)c2)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS2R14 Q9NYV8 1/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
PTGES O14684 1/20 0.43
LTA4H P09960 2/20 0.42
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
SAE1 Q9UBE0 1/20 0.42
UBA2 Q9UBT2 1/20 0.42
SLC1A5 Q15758 1/20 0.42
MEP1B Q16820 1/20 0.41
ALDH1A1 P00352 2/20 0.41
JAK2 O60674 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
SCHEMBL6512683 0.95 MEP1B (0.46) TAS2R14NPC1RAB9AL3MBTL1PTGES
SCHEMBL6513388 0.95 MEP1B (0.46) TAS2R14NPC1RAB9AL3MBTL1PTGES
SCHEMBL6516556 0.91 LTA4H (0.45) LTA4HSAE1UBA2SLC1A5MEP1B
SCHEMBL6511657 0.90 HDAC3 (0.50) L3MBTL1MTNR1AMTNR1BLTA4HHDAC3
SCHEMBL6511876 0.90 SLC1A5 (0.43) TAS2R14NPC1RAB9AL3MBTL1PTGES
SCHEMBL6508483 0.90 TSHR (0.45) MEP1BALDH1A1THRATHRBHSP90AA1
SCHEMBL6513938 0.90 PKM (0.44) MEP1BHSP90AA1MEN1LMNAKMT2A
SCHEMBL6510755 0.89 MEP1B (0.56) NPC1RAB9AMTNR1AMTNR1BLTA4H
SCHEMBL6510202 0.89 NPC1 (0.41) NPC1RAB9AL3MBTL1MTNR1AMTNR1B
SCHEMBL6511127 0.89 PKM (0.38) TAS2R14NPC1RAB9AL3MBTL1PTGES

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
WO-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed