SCHEMBL11248949

SCHEMBL11248949

CCOc1cc(CNc2ccc(C(=O)O)cc2)ccc1OC

nearest known ligand 0.76

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.76
MAPT P10636 6/20 0.75
POLB P06746 2/20 0.75
THRB P10828 1/20 0.75
F2 P00734 2/20 0.66
F10 P00742 2/20 0.66
PRSS1 P07477 2/20 0.66
F7 P08709 2/20 0.66
ALDH1A1 P00352 4/20 0.59
KDM4E B2RXH2 3/20 0.59
TSHR P16473 1/20 0.57
GAA P10253 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
MRGPRX1 Q96LB2 2/20 0.55
APAF1 O14727 1/20 0.55
HDAC1 Q13547 1/20 0.54
NR1H4 Q96RI1 1/20 0.53
TP53 P04637 1/20 0.53
CA1 P00915 1/20 0.52
CA2 P00918 1/20 0.52

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
SCHEMBL11244650 0.88 F2 (0.63) L3MBTL1MAPTPOLBTHRBF2
SCHEMBL3410940 0.84 MAPT (0.65) L3MBTL1MAPTPOLBTHRBF2
SCHEMBL1064897 0.83 NR1H4 (0.67) L3MBTL1MAPTPOLBTHRBALDH1A1
SCHEMBL8462063 0.81 NR1H4 (0.55) L3MBTL1MAPTPOLBTHRBF2
SCHEMBL11253068 0.81 MAPT (0.65) L3MBTL1MAPTPOLBF2F10
SCHEMBL3612256 0.79 TSHR (0.87) L3MBTL1POLBTSHRTP53CA1
SCHEMBL11266561 0.78 MAPT (0.63) MAPTPOLBTHRBALDH1A1KDM4E
SCHEMBL3412563 0.78 MAPT (0.66) L3MBTL1MAPTPOLBF2F10
SCHEMBL7820479 0.76 FFAR1 (0.69) L3MBTL1MAPTPOLBALDH1A1KDM4E
SCHEMBL8686297 0.75 L3MBTL1 (0.55) L3MBTL1POLBALDH1A1KDM4EGAA

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
US-4362892-A ARALKYLANILINES, ANTICHOLESTEROL AGENTS BEECHAM GROUP LIMITED (GB) 1982-12-07 US disclosed
US-4206145-A ALKANOYL-SUBSTITUTED ARALKYLAMINES BEECHAM GROUP LIMITED (GB) 1980-06-03 US disclosed