SCHEMBL6509305

SCHEMBL6509305

CSc1ccc(Sc2cccc(CN(CCC(=O)O)Cc3cccc(C)c3)c2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
HPGD P15428 1/20 0.38
MEP1B Q16820 2/20 0.37
THRA P10827 1/20 0.36
THRB P10828 1/20 0.36
HSP90AA1 P07900 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.36
PTGES O14684 1/20 0.36
EGFR P00533 1/20 0.36
CSF1R P07333 1/20 0.36
LMNA P02545 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPT P10636 2/20 0.35
SLC1A5 Q15758 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 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
SCHEMBL6510768 0.93 ALDH1A1 (0.43) ALDH1A1L3MBTL1HPGDMEP1BTHRA
SCHEMBL6508797 0.90 ALDH1A1 (0.42) ALDH1A1L3MBTL1HPGDMEP1BTHRA
SCHEMBL6510665 0.90 MEP1B (0.39) ALDH1A1L3MBTL1HPGDMEP1BTHRA
SCHEMBL6509550 0.87 MEP1B (0.42) ALDH1A1L3MBTL1HPGDMEP1BPTGES
SCHEMBL6509513 0.86 SLC6A9 (0.41) ALDH1A1L3MBTL1HPGDMEP1BEGFR
SCHEMBL6511874 0.86 AKR1B1 (0.43) ALDH1A1L3MBTL1HPGDTHRATHRB
SCHEMBL6511152 0.86 ALDH1A1 (0.45) ALDH1A1HPGDPTGESLMNAMEN1
SCHEMBL6516317 0.85 FFAR4 (0.39) ALDH1A1L3MBTL1HPGDMEP1BTHRA
SCHEMBL6511963 0.84 MEP1B (0.47) MEP1BMEN1KMT2AKDM4E
SCHEMBL6518329 0.83 NPC1 (0.39) ALDH1A1L3MBTL1HPGDMEP1BEGFR

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