SCHEMBL4385206

SCHEMBL4385206

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

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
PDE4A P27815 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HIF1A Q16665 1/20 0.39
HDAC10 Q969S8 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
PPARG P37231 4/20 0.39
PPARA Q07869 2/20 0.39
LTB4R Q15722 1/20 0.37
LTB4R2 Q9NPC1 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
FFAR1 O14842 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36

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
SCHEMBL4378557 0.86 POLB (0.42) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4378580 0.84 KDM4E (0.43) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4383468 0.82 KDM4E (0.44) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4385209 0.82 HRH3 (0.39) PPARGPPARAHRH3FFAR1ALDH1A1
SCHEMBL4383858 0.81 KDM4E (0.46) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4379129 0.81 FFAR1 (0.39) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL7987718 0.80 PLA2G4B (0.46) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL4378585 0.80 ALDH1A1 (0.53) KDM4ECYP1A2SMN1; SMN2HRH3FFAR1
Oxalic Acid SCHEMBL7990912 0.80 MEN1 (0.47) KDM4ESMN1; SMN2PPARAHRH3FFAR1
SCHEMBL4394357 0.79 HRH3 (0.38) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2

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 3 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