SCHEMBL5800707

SCHEMBL5800707

COC(=O)CC(=O)Cc1cccc(OCc2ccccc2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LTB4R Q15722 1/20 0.56
▸ LTB4R2 Q9NPC1 1/20 0.56
▸ MAOB P27338 2/20 0.56
▸ NR4A2 P43354 1/20 0.55
▸ SMPD1 P17405 1/20 0.53
▸ BCHE P06276 2/20 0.52
▸ CYP4F2 P78329 1/20 0.52
▸ CYP4A11 Q02928 1/20 0.52
▸ FFAR1 O14842 2/20 0.51
▸ PTPN1 P18031 1/20 0.51
▸ CYP2D6 P10635 1/20 0.51
▸ PTGES O14684 1/20 0.51
▸ ADAM17 P78536 1/20 0.51
▸ TSHR P16473 1/20 0.50
▸ SMN1; SMN2 Q16637 1/20 0.50
▸ NAAA Q02083 1/20 0.50
▸ MEN1 O00255 2/20 0.49
▸ KMT2A Q03164 2/20 0.49
▸ SPHK2 Q9NRA0 1/20 0.49
▸ SPHK1 Q9NYA1 1/20 0.49

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
SCHEMBL2848161 0.90 MAOB (0.60) LTB4RLTB4R2MAOBNR4A2SMPD1
SCHEMBL5801447 0.86 ALOX5 (0.61) LTB4RLTB4R2MAOBNR4A2FFAR1
SCHEMBL27424890 0.84 CTBP2 (0.56) SMN1; SMN2MEN1KMT2AALDH1A1RAB9A
SCHEMBL12746034 0.82 NR4A2 (0.58) LTB4RLTB4R2MAOBNR4A2SMPD1
SCHEMBL10683288 0.82 FFAR1 (0.63) LTB4RLTB4R2MAOBNR4A2SMPD1
SCHEMBL670027 0.81 MAOB (0.68) LTB4RLTB4R2MAOBNR4A2SMPD1
SCHEMBL7531827 0.81 PTPN1 (0.73) MAOBNR4A2SMPD1PTPN1MEN1
SCHEMBL25452779 0.81 MAOB (0.60) LTB4RLTB4R2MAOBNR4A2SMPD1
SCHEMBL954459 0.81 NR4A2 (0.66) LTB4RLTB4R2MAOBNR4A2SMPD1
SCHEMBL2637708 0.80 ALDH1A1 (0.57) CYP4F2CYP4A11TSHRSMN1; SMN2MEN1

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
WO-2006057505-A1 NOVEL COMPOUNDS AS AGONIST FOR PPARϜ AND PPARα, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2006-06-01 — — WO disclosed
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