SCHEMBL7977335

SCHEMBL7977335

CCC(=O)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
HPGD P15428 1/20 0.51
RAB9A P51151 1/20 0.51
HRH3 Q9Y5N1 7/20 0.47
GAA P10253 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HRH2 P25021 1/20 0.46
HRH1 P35367 1/20 0.46

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
SCHEMBL4381007 0.93 SMN1; SMN2 (0.52) SMN1; SMN2NPC1MAPTHPGDRAB9A
SCHEMBL7987565 0.90 L3MBTL1 (0.55) SMN1; SMN2NPC1MAPTHRH3L3MBTL1
Oxalic Acid SCHEMBL7988348 0.90 SMN1; SMN2 (0.49) SMN1; SMN2NPC1MAPTHPGDRAB9A
SCHEMBL7990745 0.88 HRH2 (0.57) L3MBTL1HRH2HRH1
SCHEMBL7987723 0.87 HRH2 (0.56) L3MBTL1HRH2HRH1
SCHEMBL4376187 0.86 L3MBTL1 (0.59) SMN1; SMN2MAPTHRH3GAAL3MBTL1
SCHEMBL7987591 0.86 HRH3 (0.42) MAPTHRH3L3MBTL1
SCHEMBL4383633 0.85 KMT2A (0.45)
SCHEMBL7994845 0.85 L3MBTL1 (0.48) NPC1MAPTHRH3L3MBTL1HRH2
SCHEMBL4392013 0.83 HRH3 (0.43) NPC1RAB9AHRH3GAAL3MBTL1

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
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed