SCHEMBL7987591

SCHEMBL7987591

CC(C)(C)CC(=O)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
MMP1 P03956 1/20 0.40
MAPT P10636 1/20 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
SCHEMBL7977335 0.86 SMN1; SMN2 (0.51) HRH3L3MBTL1MAPT
SCHEMBL7987565 0.84 L3MBTL1 (0.55) HRH3L3MBTL1MMP1MAPT
SCHEMBL4376187 0.83 L3MBTL1 (0.59) HRH3L3MBTL1MAPT
SCHEMBL7990745 0.82 HRH2 (0.57) L3MBTL1
SCHEMBL7994845 0.81 L3MBTL1 (0.48) HRH3L3MBTL1MAPT
SCHEMBL7987723 0.81 HRH2 (0.56) L3MBTL1
SCHEMBL4392013 0.80 HRH3 (0.43) HRH3L3MBTL1
SCHEMBL4381007 0.80 SMN1; SMN2 (0.52) HRH3L3MBTL1MAPT
SCHEMBL7987202 0.80 HRH2 (0.48) L3MBTL1MAPT
SCHEMBL7987181 0.79 GAA (0.55) HRH3L3MBTL1MAPT

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