SCHEMBL6508920

SCHEMBL6508920

Cc1cccc(CN(CCC(=O)O)Cc2cccc(Sc3ccccc3F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 2/20 0.41
PRMT1 Q99873 1/20 0.41
HPGD P15428 2/20 0.40
SLC6A9 P48067 5/20 0.39
ALDH1A1 P00352 3/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
HTT P42858 2/20 0.37
TAS2R14 Q9NYV8 1/20 0.36
PTGES O14684 1/20 0.36
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 1/20 0.36
LMNA P02545 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC1A5 Q15758 1/20 0.36
CYP11B1 P15538 1/20 0.35
CYP11B2 P19099 1/20 0.35
MEP1B Q16820 1/20 0.35

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
SCHEMBL6516281 0.90 SLC6A9 (0.40) RAB9APRMT1HPGDSLC6A9ALDH1A1
SCHEMBL6515036 0.89 HPGD (0.41) PRMT1HPGDSLC6A9ALDH1A1L3MBTL1
SCHEMBL6510768 0.88 ALDH1A1 (0.43) RAB9AHPGDALDH1A1L3MBTL1HTT
SCHEMBL6509513 0.86 SLC6A9 (0.41) HPGDSLC6A9ALDH1A1L3MBTL1MEN1
SCHEMBL6510665 0.85 MEP1B (0.39) HPGDSLC6A9ALDH1A1L3MBTL1HTT
SCHEMBL6509442 0.83 RAB9A (0.41) RAB9AALDH1A1HTTKDM4ELMNA
SCHEMBL6516317 0.82 FFAR4 (0.39) HPGDALDH1A1L3MBTL1TAS2R14PTGES
SCHEMBL6511874 0.81 AKR1B1 (0.43) HPGDSLC6A9ALDH1A1L3MBTL1KDM4E
SCHEMBL6509305 0.81 ALDH1A1 (0.38) RAB9AHPGDALDH1A1L3MBTL1TAS2R14
SCHEMBL6509554 0.81 HSP90AA1 (0.42) RAB9APRMT1HPGDALDH1A1L3MBTL1

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