SCHEMBL6510100

SCHEMBL6510100

Cc1ccc(Cl)c(CN(CCC(=O)O)Cc2cccc(Cc3ccccc3)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.41
FFAR4 Q5NUL3 1/20 0.41
PTGS2 P35354 3/20 0.40
KDM4E B2RXH2 2/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
ATM Q13315 1/20 0.40
HSP90AA1 P07900 1/20 0.38
HTT P42858 1/20 0.38
MEP1B Q16820 2/20 0.38
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LTA4H P09960 2/20 0.37
SLC1A5 Q15758 1/20 0.37
ABCB11 O95342 1/20 0.37
PTGS1 P23219 1/20 0.37
PPARG P37231 1/20 0.37
NR1I3 Q14994 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER4 P35408 1/20 0.37

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
SCHEMBL6510202 0.91 NPC1 (0.41) MAPTMEP1BMTNR1AMTNR1BLTA4H
SCHEMBL6511151 0.89 RAB9A (0.43) FFAR1FFAR4PTGS2KDM4EHTT
SCHEMBL6512346 0.88 LMNA (0.42) MAPK1HTTMEP1BSLC1A5PTGER1
SCHEMBL6511663 0.88 HTT (0.43) FFAR1HTTSLC1A5PTPN1
SCHEMBL6512357 0.87 TAS2R14 (0.43) FFAR4KDM4EHSP90AA1HTTMEP1B
SCHEMBL6510780 0.87 TSHR (0.49) FFAR1FFAR4KDM4EMAPTMAPK1
SCHEMBL6513398 0.86 KMT2A (0.44) FFAR1FFAR4PTGS2MAPTHSP90AA1
SCHEMBL6511174 0.86 FFAR1 (0.43) FFAR1FFAR4PTGS2KDM4EMAPT
SCHEMBL6510314 0.86 HPGD (0.40) FFAR1FFAR4PTGS2KDM4EMAPT
SCHEMBL6511699 0.85 FFAR1 (0.43) FFAR1FFAR4PTGS2KDM4EMAPT

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