SCHEMBL6626495

SCHEMBL6626495

C[C@H](Nc1ccc(N2CCC(CO)CC2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MCL1 Q07820 1/20 0.43
ALDH1A1 P00352 6/20 0.42
MAPT P10636 6/20 0.42
NPSR1 Q6W5P4 1/20 0.42
ALOX5 P09917 1/20 0.41
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.40
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSS P25774 1/20 0.40
SYK P43405 1/20 0.40
KDM4E B2RXH2 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
GFER P55789 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39

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
SCHEMBL6626492 1.00 RORC (0.45) RORCSMN1; SMN2NPC1RAB9AMCL1
SCHEMBL6624634 0.79 ALDH1A1 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL6624638 0.79 ALDH1A1 (0.58) SMN1; SMN2NPC1RAB9AALDH1A1MAPT
SCHEMBL6625925 0.78 MAPT (0.46) NPC1RAB9AALDH1A1MAPTNPSR1
SCHEMBL6625930 0.78 MAPT (0.46) NPC1RAB9AALDH1A1MAPTNPSR1
SCHEMBL23984151 0.75 KDM6B (0.47) RORCSMN1; SMN2NPC1RAB9AMCL1
SCHEMBL1663654 0.74 USP2 (0.66) RORCSMN1; SMN2NPC1RAB9AALDH1A1
SCHEMBL14924002 0.74 HRH3 (0.56) RORCSMN1; SMN2ALDH1A1MAPTKDM4E
SCHEMBL6625140 0.73 MAPT (0.56) RAB9AALDH1A1MAPTPOLBKDM4E
SCHEMBL6628495 0.73 MAPT (0.56) RAB9AALDH1A1MAPTPOLBKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116417-A1 Thiohydantoins and use thereof for treating diabetes LABORATOIRES FOURNIER SA (FR) 2004-06-17 US disclosed
EP-1373219-A1 THIOHYDANTOINS AND USE THEREOF FOR TREATING DIABETES LABORATOIRES FOURNIER S.A. (FR) 2004-01-02 EP disclosed
WO-2002081453-A1 THIOHYDANTOINS AND USE THEREOF FOR TREATING DIABETES LABORATOIRES FOURNIER SA (FR) 2002-10-17 WO disclosed