SCHEMBL6507305

SCHEMBL6507305

O=C(O)CCC(=O)OCCc1cc(-c2cccs2)sc1-c1cccs1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.47
ALDH1A1 P00352 9/20 0.40
POLB P06746 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TSHR P16473 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
APEX1 P27695 1/20 0.39
MCL1 Q07820 1/20 0.39
KDM4E B2RXH2 7/20 0.39
MAPT P10636 5/20 0.39
HPGD P15428 4/20 0.39
HSD17B10 Q99714 4/20 0.39
TDP1 Q9NUW8 3/20 0.39
CACNA1B Q00975 1/20 0.39
APBA1 Q02410 1/20 0.39
FFAR1 O14842 2/20 0.37
NR4A1 P22736 1/20 0.37
STK17B O94768 1/20 0.37
GAA P10253 3/20 0.36
CASP1 P29466 2/20 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
SCHEMBL352568 0.76 ALDH1A1 (0.47) NPC1ALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL365923 0.74 DPP4 (0.45) NPC1ALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL16900272 0.74
SCHEMBL15695308 0.73 ALDH1A1 (0.46) NPC1ALDH1A1POLBL3MBTL1TSHR
SCHEMBL17803955 0.73 MCL1 (0.44) NPC1ALDH1A1POLBL3MBTL1TSHR
SCHEMBL350856 0.73 ALDH1A1 (0.44) NPC1ALDH1A1POLBL3MBTL1TSHR
SCHEMBL14002025 0.72 ALDH1A1 (0.41) NPC1ALDH1A1POLBL3MBTL1TSHR
SCHEMBL9976552 0.71 ALDH1A1 (0.45) NPC1ALDH1A1POLBL3MBTL1SMN1; SMN2
SCHEMBL8571361 0.71 DPP4 (0.54) NPC1ALDH1A1POLBL3MBTL1TSHR
SCHEMBL12424299 0.71 DPP4 (0.49) NPC1ALDH1A1POLBL3MBTL1TSHR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005019210-A1 POLYTHIOPHENE-BASED SENSORS SECRETARY OF STATE FOR DEFENCE (GB) 2005-03-03 WO claimed
WO-2005019210-A1 POLYTHIOPHENE-BASED SENSORS SECRETARY OF STATE FOR DEFENCE (GB) 2005-03-03 WO disclosed