SCHEMBL7974440

SCHEMBL7974440

O=C(c1ccccc1)c1ccc(OCCc2c[nH]cn2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.56
PPARA Q07869 2/20 0.52
LTA4H P09960 1/20 0.51
PPARG P37231 2/20 0.49
L3MBTL1 Q9Y468 4/20 0.49
LMNA P02545 3/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 3/20 0.48
HRH4 Q9H3N8 1/20 0.48
MAPK1 P28482 1/20 0.48
ALDH1A1 P00352 4/20 0.47
HTT P42858 2/20 0.46
SMN1; SMN2 Q16637 2/20 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
KMT2A Q03164 1/20 0.46
PKM P14618 1/20 0.45
HRH3 Q9Y5N1 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
SCHEMBL7987181 0.93 GAA (0.55) GAAPPARALTA4HPPARGL3MBTL1
SCHEMBL7987248 0.84 HRH3 (0.47) GAAPPARAPPARGLMNAKDM4E
SCHEMBL7961178 0.83 HRH3 (0.58) GAAL3MBTL1LMNAMAPTKDM4E
SCHEMBL4381007 0.81 SMN1; SMN2 (0.52) GAAL3MBTL1MAPTSMN1; SMN2MEN1
SCHEMBL7971202 0.81 MAPT (0.60) GAAL3MBTL1LMNAMAPTKDM4E
Oxalic Acid SCHEMBL7988348 0.81 SMN1; SMN2 (0.49) GAAL3MBTL1MAPTALDH1A1HTT
Benzophenone SCHEMBL3457993 0.80 ALDH1A1 (0.42) GAAL3MBTL1KDM4EALDH1A1HTT
SCHEMBL8934857 0.80 HRH3 (0.39) GAAPPARAPPARGKDM4EHRH4
Oxalic Acid SCHEMBL7987116 0.80 L3MBTL1 (0.49) PPARAL3MBTL1KDM4EALDH1A1SMN1; SMN2
SCHEMBL7974811 0.79 TDP1 (0.51) L3MBTL1LMNAMAPTALDH1A1HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US claimed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US claimed
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP claimed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP claimed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO claimed
US-RE37303-E1 Imidazole compounds and their therapeutic applications INSTITUT NATIONAL DEL LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 2001-07-31 US disclosed
EP-0597088-B1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INST NAT SANTE RECH MED (FR) 2000-12-06 EP disclosed
US-5559113-A ANTAGONISTS TO HISTAMINE H3 RECEPTORS, SEDATIVES, ANTICONVULSANTS, ANTIULCER AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE 1996-09-24 US disclosed
EP-0597088-A1 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1994-05-18 EP disclosed
WO-1993014070-A2 NOVEL IMIDAZOLE DERIVATIVES, THEIR PREPARATION AND THERAPEUTIC APPLICATIONS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1993-07-22 WO disclosed