SCHEMBL5084741

SCHEMBL5084741

CC(C)(C)c1ccc(OC(Cc2ccc3[nH]c(=O)[nH]c3c2)C(N)=O)cc1F

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.39
KDM4E B2RXH2 5/20 0.39
ALDH1A1 P00352 5/20 0.39
KMT2A Q03164 4/20 0.39
GAA P10253 3/20 0.39
MEN1 O00255 3/20 0.39
HPGD P15428 3/20 0.39
NPSR1 Q6W5P4 3/20 0.39
G6PD P11413 1/20 0.39
BLM P54132 1/20 0.39
PKM P14618 1/20 0.38
PPARG P37231 3/20 0.35
PPARA Q07869 3/20 0.35
PDPK1 O15530 2/20 0.34
KDM4A O75164 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
POLB P06746 3/20 0.32
MAPK1 P28482 2/20 0.32
HSD17B10 Q99714 2/20 0.32
ALOX15 P16050 1/20 0.32

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
SCHEMBL3931516 0.76 KDM4E (0.52) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL5223625 0.75 TRPV1 (0.38)
SCHEMBL28617150 0.69 GAA (0.46) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL5177718 0.68 PPARG (0.53) KMT2AMEN1PPARGPPARASMN1; SMN2
SCHEMBL5178622 0.65 PPARG (0.57) PPARGPPARA
SCHEMBL3929061 0.65 ALDH1A1 (0.51) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL3594215 0.65 ALDH1A1 (0.49) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL3594213 0.65 ALDH1A1 (0.49) MAPTKDM4EALDH1A1KMT2AGAA
SCHEMBL19154714 0.64 POLB (0.37) MAPTKDM4EALDH1A1GAAPOLB
SCHEMBL6772721 0.64 GAA (0.58) MAPTKDM4EALDH1A1KMT2AGAA

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-1893583-A1 SUBSTITUTED ARYLOXY-N-BICYCLOMETHYL ACETAMIDE COMPOUNDS AS VR1 ANTAGONISTS Pfizer, Inc. (US) 2008-03-05 EP claimed
WO-2006129164-A1 SUBSTITUTED ARYLOXY-N-BICYCLOMETHYL ACETAMIDE COMPOUNDS AS VR1 ANTAGONISTS PFIZER JAPAN INC. (JP) 2006-12-07 WO claimed