SCHEMBL11242828

SCHEMBL11242828

COc1ccc(C2CC(=O)c3cc(Cl)ccc3O2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.70
ABCB1 P08183 1/20 0.70
ABCG2 Q9UNQ0 1/20 0.70
MAOB P27338 9/20 0.68
CYP19A1 P11511 5/20 0.68
MAPT P10636 3/20 0.68
NPC1 O15118 2/20 0.68
RAB9A P51151 2/20 0.68
CYP3A4 P08684 1/20 0.68
CYP1A1 P04798 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP1B1 Q16678 1/20 0.55
ALDH1A1 P00352 2/20 0.54
KDM4E B2RXH2 1/20 0.54
GAA P10253 1/20 0.54
ALOX15 P16050 1/20 0.54
TSHR P16473 1/20 0.54
MAPK1 P28482 1/20 0.54
HSD17B10 Q99714 1/20 0.54
PKM P14618 1/20 0.53

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
SCHEMBL11242835 0.90 MAOB (0.81) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL22680315 0.89 ABCB1 (0.87) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL10536102 0.88 AR (0.63) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL30674793 0.85 CYP19A1 (0.85) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL7655727 0.85 CYP19A1 (0.85) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL4951516 0.85 CYP19A1 (0.73) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL6700946 0.84 AR (0.69) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL126192 0.83 AR (1.00) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL4394832 0.83 AR (1.00) ARABCB1ABCG2MAOBCYP19A1
SCHEMBL18893710 0.82 MAOB (0.81) ARABCB1ABCG2MAOBCYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004579-B1 FLAVANS, PROCESS FOR THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM THE WELLCOME FOUNDATION LIMITED (GB) 1982-08-18 EP claimed