SCHEMBL7987718

SCHEMBL7987718

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PLA2G4B P0C869 1/20 0.46
KDM4E B2RXH2 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP2D6 P10635 1/20 0.45
PDE4A P27815 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
HIF1A Q16665 1/20 0.45
HDAC10 Q969S8 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
LMNA P02545 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP9 P14780 1/20 0.40
PLA2G4A P47712 1/20 0.40

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 0.97 KDM4E (0.46) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL4383468 0.93 KDM4E (0.44) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL4378580 0.88 KDM4E (0.43) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL4379129 0.87 FFAR1 (0.39) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL8795425 0.85 FFAR1 (0.39) PLA2G4BSMN1; SMN2LMNAPLA2G4A
SCHEMBL7990745 0.84 HRH2 (0.57) L3MBTL1
SCHEMBL4378557 0.83 POLB (0.42) KDM4ECYP1A2CYP2D6PDE4ASMN1; SMN2
SCHEMBL7987723 0.83 HRH2 (0.56) L3MBTL1
SCHEMBL4390061 0.82 CYP1A2 (0.40) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A
SCHEMBL4390064 0.82 CYP1A2 (0.40) PLA2G4BKDM4ECYP1A2CYP2D6PDE4A

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