SCHEMBL5262973

SCHEMBL5262973

COc1ccc(O)c(C)c1CCC(C)C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4D Q08499 2/20 0.40
ALOX15 P16050 3/20 0.39
ALOX12 P18054 3/20 0.39
FOS P01100 1/20 0.39
TTR P02766 1/20 0.39
JUN P05412 1/20 0.39
NR3C1 P04150 1/20 0.39
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
CYP3A4 P08684 3/20 0.37
MMP1 P03956 1/20 0.37
TSHR P16473 3/20 0.37
MAPK1 P28482 1/20 0.37
TAAR1 Q96RJ0 1/20 0.37
ADRB2 P07550 1/20 0.36
NFKB1 P19838 2/20 0.36
ALOX5 P09917 1/20 0.36
NFKB2 Q00653 1/20 0.36
RELA Q04206 1/20 0.36
TMEM97 Q5BJF2 1/20 0.36

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
SCHEMBL27438770 0.79 ALOX5 (0.49) CYP3A4TSHRMAPK1ALOX5CYP1A2
SCHEMBL6935416 0.77 CYP3A4 (0.42) ALOX15ALOX12NR3C1HSD17B2CYP3A4
SCHEMBL25331583 0.77 HSD17B2 (0.41) ALOX15ALOX12FOSTTRJUN
SCHEMBL20348822 0.74 PDE4D (0.45) PDE4DALOX15ALOX12CYP3A4MAPK1
SCHEMBL16625547 0.72 ALDH1A1 (0.56) CYP3A4ALOX5MEN1POLBKMT2A
SCHEMBL30978325 0.72 CYP3A4 (0.41) ALOX15ALOX12FOSTTRJUN
SCHEMBL5514890 0.72 MAPT (0.44) NFKB1ALOX5NFKB2RELACYP1A2
SCHEMBL8293517 0.71 CYP3A4 (0.65) ALOX15ALOX12CYP3A4TSHRADRB2
SCHEMBL8294109 0.71 TAAR1 (0.67) ALOX15ALOX12FOSTTRJUN
SCHEMBL9719955 0.71 ADRB2 (0.54) ALOX15ALOX12FOSTTRJUN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836183-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS Galileo Pharmaceuticals, Inc. (US) 2007-09-26 EP disclosed
WO-2006065686-A2 SPIRO DERIVATIVES AS LIPOXYGENASE INHIBITORS GALILEO PHARMACEUTICALS, INC. (US) 2006-06-22 WO disclosed