SCHEMBL9744992

SCHEMBL9744992

COc1ccc(C(O)C(=O)c2ccc(OC)cc2Br)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
CYP3A4 P08684 2/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PPARG P37231 1/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
HPGD P15428 2/20 0.42
MAPK1 P28482 2/20 0.42
ALDH1A1 P00352 1/20 0.42
AKR1C3 P42330 5/20 0.42
AKR1C2 P52895 5/20 0.42
PTGS2 P35354 3/20 0.42
PTGS1 P23219 2/20 0.42
TSHR P16473 2/20 0.42
CDC42 P60953 1/20 0.42
RAC1 P63000 1/20 0.42
CYP1A2 P05177 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
ALOX5 P09917 1/20 0.40

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
SCHEMBL28062466 0.91 LMNA (0.46) MAPTCYP3A4MEN1KMT2ANPC1
SCHEMBL30937976 0.84 CYP3A4 (0.65) MAPTCYP3A4MEN1KMT2APPARG
SCHEMBL3484699 0.80 NPC1 (0.49) MAPTCYP3A4MEN1KMT2APPARG
SCHEMBL3507498 0.79 CYP3A4 (0.74) MAPTCYP3A4MEN1KMT2APPARG
SCHEMBL8397291 0.79 NPC1 (0.47) MAPTCYP3A4MEN1KMT2APPARG
SCHEMBL68736 0.76 CES2 (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL4809737 0.76 RAB9A (0.62) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL11283361 0.76 TDP1 (0.55) MAPTMEN1KMT2ANPC1RAB9A
SCHEMBL9726513 0.76 RAB9A (0.66) MAPTCYP3A4MEN1KMT2ANPC1
SCHEMBL29757182 0.75 CA1 (0.53) MAPTCYP3A4MEN1KMT2ANPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0236628-A1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-09-16 EP claimed
EP-0236628-B1 INHIBITION OF THE 5-LIPOXYGENASE PATHWAY SMITHKLINE BEECHAM CORPORATION (US) 1992-12-02 EP disclosed
EP-0236628-A1 Inhibition of the 5-lipoxygenase pathway SMITHKLINE BEECHAM CORPORATION (US) 1987-09-16 EP disclosed
US-4686231-A 4,5-DIARYL-2-SUBSTITUTED-IMIDAZOLE SMITHKLINE BECKMAN CORPORATION (US) 1987-08-11 US disclosed