SCHEMBL4379129

SCHEMBL4379129

O=C(CCO)Cc1ccc(OCCCc2c[nH]cn2)cc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.39
KDM4E B2RXH2 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
PDE4A P27815 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC10 Q969S8 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
PLA2G4B P0C869 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
S1PR1 P21453 1/20 0.35
S1PR3 Q99500 1/20 0.35

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
SCHEMBL4383468 0.89 KDM4E (0.44) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4383858 0.88 KDM4E (0.46) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
Ethylene SCHEMBL7989151 0.88 KDM4E (0.34) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL7987718 0.87 PLA2G4B (0.46) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4378580 0.86 KDM4E (0.43) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4378557 0.84 POLB (0.42) FFAR1KDM4ECYP1A2CYP2D6PDE4A
SCHEMBL8795425 0.83 FFAR1 (0.39) FFAR1SMN1; SMN2PLA2G4BCYP4F2CYP4A11
SCHEMBL4394335 0.82 POLB (0.43) FFAR1SMN1; SMN2S1PR1S1PR3
SCHEMBL4376133 0.82 HRH3 (0.46) FFAR1CYP2D6
SCHEMBL4385206 0.81 KDM4E (0.39) FFAR1KDM4ECYP1A2CYP2D6PDE4A

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 4 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
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