SCHEMBL6090155

SCHEMBL6090155

COC(=O)c1c(C)cccc1COc1cccc(OCc2ccccc2Cl)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 3/20 0.57
NPC1 O15118 1/20 0.57
RAB9A P51151 1/20 0.57
MAOB P27338 2/20 0.50
MAOA P21397 1/20 0.50
MEN1 O00255 1/20 0.50
SLC26A4 O43511 1/20 0.50
KMT2A Q03164 1/20 0.50
LMNA P02545 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
GCK P35557 1/20 0.47
SPHK2 Q9NRA0 1/20 0.45
SPHK1 Q9NYA1 1/20 0.45
FFAR1 O14842 1/20 0.45
FFAR4 Q5NUL3 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HIF1A Q16665 1/20 0.44
HPGD P15428 2/20 0.44

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
SCHEMBL6088329 0.90 MAOB (0.52) NR4A2NPC1RAB9AMAOBSLC26A4
SCHEMBL6088771 0.89 NR4A2 (0.58) NR4A2NPC1RAB9AMEN1SLC26A4
SCHEMBL6089332 0.87 NR4A2 (0.67) NR4A2NPC1RAB9AMAOBMAOA
SCHEMBL6088473 0.86 HIF1A (0.57) NR4A2MAOBKMT2ALMNASMN1; SMN2
SCHEMBL6087974 0.85 HIF1A (0.58) NR4A2NPC1RAB9AMAOBMAOA
SCHEMBL6088324 0.85 MAOB (0.45) MAOBMEN1SLC26A4KMT2ALMNA
SCHEMBL6088781 0.85 MAOB (0.44) NR4A2NPC1RAB9AMAOBSLC26A4
SCHEMBL5724594 0.84 HIF1A (0.53) NPC1RAB9AMAOBSLC26A4LMNA
SCHEMBL6088841 0.82 MAPT (0.50) NPC1RAB9AMAOBSLC26A4KMT2A
SCHEMBL6088959 0.82 MAOB (0.48) NPC1RAB9AMAOBMEN1KMT2A

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-7005440-B1 Therapeutic uses of tri-aryl acid derivatives AVENTIS PHARMA DEUTSCHLAND GMBH (DE) 2006-02-28 US disclosed