SCHEMBL6087974

SCHEMBL6087974

COC(=O)c1c(C)cccc1COc1cccc(OCc2ccc(Cl)cc2)c1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 2/20 0.58
MAOB P27338 6/20 0.55
MAOA P21397 4/20 0.55
NR4A2 P43354 1/20 0.53
SMPD1 P17405 1/20 0.50
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47
RXRG P48443 1/20 0.47
ADAM17 P78536 1/20 0.46
LMNA P02545 1/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
SLC26A4 O43511 1/20 0.45
KMT2A Q03164 1/20 0.45

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
SCHEMBL6088959 0.90 MAOB (0.48) HIF1AMAOBSMPD1RAB9ANPC1
SCHEMBL6088473 0.89 HIF1A (0.57) HIF1AMAOBNR4A2SMPD1LMNA
SCHEMBL6088371 0.88 RXRA (0.46) HIF1AMAOBMAOASMPD1RAB9A
SCHEMBL6088680 0.88 NR4A2 (0.62) HIF1AMAOBMAOANR4A2SMPD1
SCHEMBL6088771 0.87 NR4A2 (0.58) HIF1ANR4A2RAB9ANPC1MAPT
SCHEMBL6088578 0.86 NR4A2 (0.57) HIF1AMAOBNR4A2SMPD1RAB9A
SCHEMBL6090155 0.85 NR4A2 (0.57) HIF1AMAOBMAOANR4A2RAB9A
SCHEMBL6088329 0.85 MAOB (0.52) HIF1AMAOBNR4A2RAB9ANPC1
SCHEMBL6088416 0.85 ADAM17 (0.47) HIF1ANPC1ADAM17MAPT
SCHEMBL6088781 0.83 MAOB (0.44) HIF1AMAOBNR4A2RAB9ANPC1

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