SCHEMBL990808

SCHEMBL990808

O=C(N[C@@H]1CCC[C@](O)(C#Cc2cccc(Cl)c2)C1)c1ccco1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.49
HPGD P15428 1/20 0.49
GRM5 P41594 8/20 0.46
TSHR P16473 2/20 0.41
USP2 O75604 1/20 0.41
LMNA P02545 1/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.39
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
CASP1 P29466 1/20 0.38
KMT2A Q03164 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL990107 1.00 ALDH1A1 (0.49) ALDH1A1HPGDGRM5TSHRUSP2
SCHEMBL991105 0.90 ALDH1A1 (0.48) ALDH1A1HPGDGRM5L3MBTL1KMT2A
SCHEMBL990050 0.90 ALDH1A1 (0.48) ALDH1A1HPGDGRM5L3MBTL1KMT2A
SCHEMBL990810 0.90 ALDH1A1 (0.48) ALDH1A1HPGDGRM5L3MBTL1MEN1
SCHEMBL990781 0.90 ALDH1A1 (0.48) ALDH1A1HPGDGRM5L3MBTL1MEN1
SCHEMBL991006 0.86 GRM5 (0.46) ALDH1A1HPGDGRM5TSHRL3MBTL1
SCHEMBL992693 0.86 GRM5 (0.46) ALDH1A1HPGDGRM5TSHRL3MBTL1
SCHEMBL990340 0.85 L3MBTL1 (0.59) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL992077 0.85 GRM5 (0.44) GRM5L3MBTL1NPC1RAB9AMEN1
SCHEMBL990212 0.85 GRM5 (0.44) GRM5L3MBTL1NPC1RAB9AMEN1

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
EP-2272509-A1 New Uses of metabotropic glutamate receptors Novartis AG (CH) 2011-01-12 EP disclosed