SCHEMBL27660872

SCHEMBL27660872

CC(=O)OC(C)(C)CN(C)C(=O)CC1(c2ccc(OCc3ccccc3)cc2)CCc2cc(Cl)ccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.37
ALOX5 P09917 3/20 0.36
LTB4R Q15722 1/20 0.35
LTB4R2 Q9NPC1 1/20 0.35
MAOB P27338 4/20 0.35
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
MAOA P21397 1/20 0.34
MDM2 Q00987 1/20 0.34
HIF1A Q16665 1/20 0.33
FFAR1 O14842 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
AR P10275 1/20 0.33

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
SCHEMBL27680816 0.88 SRD5A1 (0.33) KDM1AMDM2
SCHEMBL27660901 0.88 SRD5A1 (0.33) KDM1AMDM2
SCHEMBL5709412 0.87 KDM1A (0.38) KDM1AALOX5LTB4RLTB4R2MAOB
SCHEMBL27660699 0.82 TP53 (0.35) MDM2
SCHEMBL27680721 0.82 TP53 (0.35) MDM2
SCHEMBL27660891 0.82 BCHE (0.34) CYP11B1CYP11B2
SCHEMBL5709462 0.81 KDM1A (0.45) KDM1AMAOBMAOAFFAR1AR
SCHEMBL5709411 0.77 LTA4H (0.38) KDM1AHIF1AAR
SCHEMBL5709377 0.76 FFAR1 (0.44) KDM1AMAOBMAOAFFAR1
SCHEMBL5709474 0.75 AR (0.40) KDM1AMAOBFFAR1AR

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
CN-1950328-A Phenyl indan derivatives LUNDBECK & CO AS H (DK) 2007-04-18 CN disclosed