SCHEMBL6515036

SCHEMBL6515036

Cc1cccc(CN(CCC(=O)O)Cc2cccc(Sc3ccccc3C)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.41
PRMT1 Q99873 1/20 0.40
ALDH1A1 P00352 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
FFAR4 Q5NUL3 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
PTGES O14684 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
KDM4E B2RXH2 1/20 0.37
LMNA P02545 1/20 0.37
EGFR P00533 1/20 0.37
CSF1R P07333 1/20 0.37
MAPT P10636 1/20 0.37
SLC6A9 P48067 3/20 0.37
SLC1A5 Q15758 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
MCHR1 Q99705 1/20 0.36
MEP1B Q16820 1/20 0.36
FFAR1 O14842 1/20 0.36

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
SCHEMBL6516317 0.91 FFAR4 (0.39) HPGDALDH1A1L3MBTL1FFAR4TAS2R14
SCHEMBL6510768 0.90 ALDH1A1 (0.43) HPGDALDH1A1L3MBTL1FFAR4TAS2R14
SCHEMBL6508920 0.89 RAB9A (0.41) HPGDPRMT1ALDH1A1L3MBTL1TAS2R14
SCHEMBL6509513 0.83 SLC6A9 (0.41) HPGDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6509305 0.83 ALDH1A1 (0.38) HPGDALDH1A1L3MBTL1FFAR4TAS2R14
SCHEMBL6511874 0.83 AKR1B1 (0.43) HPGDALDH1A1L3MBTL1KMT2AKDM4E
SCHEMBL6516281 0.83 SLC6A9 (0.40) HPGDPRMT1ALDH1A1L3MBTL1KMT2A
SCHEMBL6518329 0.82 NPC1 (0.39) HPGDALDH1A1L3MBTL1MEN1KMT2A
SCHEMBL6508797 0.82 ALDH1A1 (0.42) HPGDALDH1A1L3MBTL1PTGESMEN1
SCHEMBL6509554 0.82 HSP90AA1 (0.42) HPGDPRMT1ALDH1A1L3MBTL1FFAR4

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