SCHEMBL7987181

SCHEMBL7987181

O=C(c1ccccc1)c1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.55
PPARA Q07869 3/20 0.55
KDM4E B2RXH2 4/20 0.50
PPARG P37231 3/20 0.50
HRH4 Q9H3N8 1/20 0.50
LTA4H P09960 1/20 0.50
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
MAPT P10636 2/20 0.48
MAPK1 P28482 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
MEN1 O00255 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
CYP2C19 P33261 1/20 0.46
HTT P42858 1/20 0.46
KMT2A Q03164 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PPARD Q03181 1/20 0.45

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
SCHEMBL7974440 0.93 GAA (0.56) GAAPPARAKDM4EPPARGHRH4
SCHEMBL7987248 0.88 HRH3 (0.47) GAAPPARAKDM4EPPARGALDH1A1
SCHEMBL8934857 0.87 HRH3 (0.39) GAAPPARAKDM4EPPARGHRH4
SCHEMBL7987202 0.85 HRH2 (0.48) GAAPPARAPPARGL3MBTL1MAPT
SCHEMBL4376187 0.84 L3MBTL1 (0.59) GAAKDM4EALDH1A1LMNAL3MBTL1
SCHEMBL7988256 0.83 HPGD (0.55) KDM4EALDH1A1LMNAMAPTMEN1
SCHEMBL7991232 0.82 HRH4 (0.66) PPARAPPARGHRH4HRH3
SCHEMBL4378564 0.82 HRH4 (0.66) PPARAPPARGHRH4HRH3
SCHEMBL4384300 0.82 LTA4H (0.51) PPARAPPARGLTA4HHRH3
SCHEMBL7977335 0.82 SMN1; SMN2 (0.51) GAAL3MBTL1MAPTHRH3HPGD

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