SCHEMBL9860880

SCHEMBL9860880

CC(C)(C)c1cc(Br)ccc1O[Si](C)(C)C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.51
ALOX15 P16050 2/20 0.44
USP2 O75604 1/20 0.44
ALPL P05186 1/20 0.44
MAPK1 P28482 2/20 0.36
ALDH1A1 P00352 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
TSHR P16473 3/20 0.32
LMNA P02545 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
HPGD P15428 1/20 0.32
S1PR4 O95977 1/20 0.32
RBP4 P02753 1/20 0.31
NPC1 O15118 1/20 0.31
RAB9A P51151 1/20 0.31
MEN1 O00255 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL7982954 0.79 ALDH1A1 (0.41) PTGDR2ALOX15ALDH1A1LMNATP53
SCHEMBL1542948 0.79 PTGDR2 (0.56) PTGDR2ALOX15USP2ALPLMAPK1
SCHEMBL29426974 0.79 PTGDR2 (0.56) PTGDR2ALOX15USP2ALPLMAPK1
SCHEMBL9860765 0.78 LMNA (0.32) PTGDR2ALOX15ALDH1A1LMNATP53
SCHEMBL1826724 0.75 PTGDR2 (0.33) PTGDR2ALOX15ALDH1A1RAB9ASMN1; SMN2
SCHEMBL13748304 0.74 PTGDR2 (0.64) PTGDR2ALOX15USP2ALPLMAPK1
SCHEMBL7587512 0.74 PTGDR2 (0.51) PTGDR2ALOX15USP2ALPLMAPK1
SCHEMBL8515160 0.74 PTGDR2 (0.51) PTGDR2ALOX15USP2ALPLMAPK1
SCHEMBL2415131 0.74 S1PR4 (0.42) PTGDR2ALOX15USP2ALPLMAPK1
SCHEMBL25354930 0.73 MAPK1 (0.39) PTGDR2ALOX15MAPK1ALDH1A1TDP1

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-0251408-B1 NOVEL ANTI-INFLAMMATORY AGENTS, PHARMACEUTICAL COMPOSITIONS AND METHODS FOR REDUCING INFLAMMATION THE PROCTER & GAMBLE COMPANY (US) 1991-04-17 EP disclosed
EP-0251408-A1 Novel anti-inflammatory agents, pharmaceutical compositions and methods for reducing inflammation THE PROCTER & GAMBLE COMPANY (US) 1988-01-07 EP disclosed