SCHEMBL2853880

SCHEMBL2853880

COC(=O)C(C)c1cccc(OCc2ccccc2)c1

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.63
KMT2A Q03164 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
PTGS1 P23219 2/20 0.57
PTGS2 P35354 1/20 0.57
LTA4H P09960 2/20 0.57
MAOB P27338 2/20 0.55
BCHE P06276 1/20 0.54
MEN1 O00255 1/20 0.54
NR4A2 P43354 1/20 0.54
PTGES O14684 1/20 0.53
SMPD1 P17405 1/20 0.52
EPOR P19235 1/20 0.52
ACACB O00763 1/20 0.51
PTPN1 P18031 1/20 0.50
SGMS2 Q8NHU3 1/20 0.50

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
SCHEMBL27833465 0.87 ALOX5 (0.67) ALOX5KMT2ASMN1; SMN2PTGS1MAOB
SCHEMBL2986567 0.87 ALOX5 (0.67) ALOX5KMT2ASMN1; SMN2PTGS1PTGS2
SCHEMBL9432429 0.86 KMT2A (0.59) ALOX5KMT2ASMN1; SMN2LTA4HMAOB
SCHEMBL9019941 0.86 KMT2A (0.59) ALOX5KMT2ASMN1; SMN2LTA4HMAOB
SCHEMBL25311665 0.85 KMT2A (0.57) ALOX5KMT2ASMN1; SMN2LTA4HMAOB
SCHEMBL31070956 0.85 KMT2A (0.57) ALOX5KMT2ASMN1; SMN2LTA4HMAOB
SCHEMBL3609023 0.85 KMT2A (0.64) ALOX5KMT2ASMN1; SMN2LTA4HMAOB
SCHEMBL6266373 0.85 LTA4H (0.59) ALOX5SMN1; SMN2LTA4HMAOBACACB
SCHEMBL23718140 0.82 CASR (0.53) ALOX5KMT2ASMN1; SMN2PTGS1PTGS2
SCHEMBL16767403 0.82 PPARG (0.66) ALOX5KMT2ASMN1; SMN2LTA4HMAOB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed
WO-2010138901-A1 CARBOXYLIC ACID-CONTAINING COMPOUNDS, DERIVATIVES THEREOF, AND RELATED METHODS OF USE BIOGEN IDEC MA INC (US) 2010-12-02 WO disclosed
WO-2007058504-A1 NOVEL COMPOUNDS AS AGONIST FOR PPAR GAMMA AND PPAR ALPHA, METHOD FOR PREPARATION OF THE SAME, AND PHARMACEUTICAL COMPOSITION CONTAINING THE SAME LG LIFE SCIENCES, LTD. (KR) 2007-05-24 WO disclosed