SCHEMBL14217867

SCHEMBL14217867

COc1ccc(Oc2cc(Oc3ccc(C)cc3)cc(N(C)C)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.54
SLC2A1 P11166 1/20 0.44
RELA Q04206 1/20 0.44
LTA4H P09960 2/20 0.44
ALDH1A1 P00352 4/20 0.43
TSHR P16473 1/20 0.43
HSD17B1 P14061 2/20 0.43
HSD17B2 P37059 2/20 0.43
TEAD4 Q15561 1/20 0.42
AR P10275 1/20 0.41
MAPT P10636 3/20 0.41
POLB P06746 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
APP P05067 1/20 0.41
CALM1 P0DP23 1/20 0.41
SMN1; SMN2 Q16637 3/20 0.40
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39

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
SCHEMBL12260797 0.80 ENPP2 (0.59) SLC2A1LTA4HALDH1A1HSD17B1HSD17B2
SCHEMBL12277315 0.80 ACHE (0.83) ACHERELALTA4HALDH1A1TEAD4
SCHEMBL257625 0.80 ACHE (0.83) ACHERELALTA4HALDH1A1TEAD4
SCHEMBL13778705 0.78 ALDH1A1 (0.71) ACHESLC2A1ALDH1A1TSHRHSD17B1
SCHEMBL10023997 0.78 SLC2A1 (0.67) SLC2A1LTA4HALDH1A1TSHRMAPT
SCHEMBL12748396 0.78 TEAD4 (0.64) ACHEALDH1A1TSHRTEAD4AR
SCHEMBL12770829 0.77 ACHE (0.56) ACHERELALTA4HALDH1A1TEAD4
SCHEMBL8943781 0.77 ACHE (0.62) ACHESLC2A1RELALTA4HALDH1A1
SCHEMBL15474243 0.76 HSD17B1 (0.51) ACHEALDH1A1TSHRHSD17B1HSD17B2
SCHEMBL116727 0.76 ALDH1A1 (0.61) SLC2A1ALDH1A1TSHRMAPTAPP

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
WO-2008063300-A2 BORONIC ACIDS AND ESTERS AS INHIBITORS OF FATTY ACID AMIDE HYDROLASE INFINITY PHARMACEUTICALS, INC. (US) 2008-05-29 WO disclosed