SCHEMBL4634069

SCHEMBL4634069

COc1ccc(CCCCOc2ccc(CNC3CCC(OC(=O)O)(OC(=O)O)C3)cc2)cc1Cl

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.38
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
PPARG P37231 2/20 0.37
PPARA Q07869 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CNR1 P21554 3/20 0.36
CNR2 P34972 3/20 0.36
SSTR3 P32745 1/20 0.36
PPARD Q03181 1/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
LTB4R Q15722 1/20 0.36
LTB4R2 Q9NPC1 1/20 0.36
PDE4B Q07343 1/20 0.36
KCNH2 Q12809 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
Hydrochloric Acid SCHEMBL4633607 0.92 PPARA (0.39) PPARGPPARAALDH1A1MAPTSMN1; SMN2
SCHEMBL4289141 0.88 PPARA (0.39) KDM1AMAOAMAOBPPARGPPARA
SCHEMBL4634092 0.88 NAAA (0.42) ALDH1A1SMN1; SMN2MEN1KMT2AKCNH2
SCHEMBL4633568 0.82 S1PR2 (0.48) PPARGPPARAMAPTSMN1; SMN2CNR1
SCHEMBL4633616 0.82 S1PR5 (0.47)
SCHEMBL4633518 0.82 S1PR5 (0.47)
SCHEMBL4287080 0.81 PPARA (0.40) PPARGPPARAALDH1A1CNR1CNR2
Hydrochloric Acid SCHEMBL4634609 0.81 S1PR5 (0.46)
SCHEMBL13659717 0.80 PPARA (0.40) PPARGPPARAALDH1A1CNR1CNR2
Hydrochloric Acid SCHEMBL4296373 0.80 PPARA (0.40) PPARGPPARAALDH1A1MAPTSMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1650186-B1 Novel dicarboxylic acid derivatives BIOPROJET SOC CIV (FR) 2008-06-04 EP claimed