SCHEMBL4383468

SCHEMBL4383468

CCCC(=O)Cc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2D6 P10635 1/20 0.44
PDE4A P27815 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
HDAC10 Q969S8 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
PLA2G4B P0C869 1/20 0.43
LMNA P02545 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL4383858 0.94 KDM4E (0.46) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL7987718 0.93 PLA2G4B (0.46) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4378580 0.90 KDM4E (0.43) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4379129 0.89 FFAR1 (0.39) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4378557 0.85 POLB (0.42) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4384958 0.85 KDM4E (0.38) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4384962 0.85 KDM4E (0.38) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL7987565 0.83 L3MBTL1 (0.55) CYP1A2CYP2D6SMN1; SMN2LMNAL3MBTL1
Ethylene SCHEMBL7989151 0.83 KDM4E (0.34) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL8795425 0.82 FFAR1 (0.39) SMN1; SMN2PLA2G4BLMNA

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 5 patents. 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
EP-0760811-B1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 MODULATORS INST NAT SANTE RECH MED (FR) 2009-11-18 EP disclosed
US-6248765-B1 ANTIINFLAMMATORY AGENTS; HYPOTENSIVE AGENTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICAL (FR) 2001-06-19 US disclosed
EP-0760811-A1 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H 3? (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1997-03-12 EP disclosed
WO-1996029315-A2 IMIDAZOLE DERIVATIVES AS HISTAMINE RECEPTOR H3 (ANT)AGONISTS INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-09-26 WO disclosed