SCHEMBL471098

SCHEMBL471098

O=C(O)c1cccc(OCc2nc3ccc(Oc4cccnc4)cc3[nH]2)c1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 16/20 0.62
CHEK2 O96017 2/20 0.48
MRGPRX4 Q96LA9 1/20 0.46
RAB9A P51151 1/20 0.46

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
SCHEMBL7806832 0.79 CHEK2 (0.51) PPARGCHEK2RAB9A
SCHEMBL1984609 0.78 AKR1C3 (0.67) PPARG
Hydrochloric Acid SCHEMBL8524871 0.78 CHEK2 (0.50) PPARGCHEK2RAB9A
SCHEMBL3487022 0.77 PPARG (1.00) PPARG
Hydrochloric Acid SCHEMBL6202981 0.77 AKR1C3 (0.65) PPARG
SCHEMBL17710800 0.76 RAB9A (0.55) PPARGMRGPRX4RAB9A
SCHEMBL7810880 0.73 RAB9A (0.55) RAB9A
SCHEMBL18906065 0.72 NR4A2 (0.71) MRGPRX4
SCHEMBL15552182 0.71 NPC1 (0.73) RAB9A
SCHEMBL7810247 0.71 RAB9A (0.63) RAB9A

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
WO-2012033091-A1 PROCESS FOR PREPARING BENZOIC ACID ESTERS 第一三共株式会社 (JP) 2012-03-15 WO disclosed
WO-2010101164-A1 PYRIDINE DERIVATIVE 第一三共株式会社 (JP) 2010-09-10 WO disclosed