SCHEMBL1123091

SCHEMBL1123091

O=C(Nc1ccccc1OCc1ccccc1)c1cccc(OCc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.69

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 4/20 0.69
NR1H4 Q96RI1 3/20 0.60
HDAC1 Q13547 1/20 0.59
HDAC8 Q9BY41 1/20 0.59
HDAC6 Q9UBN7 1/20 0.59
ALDH1A1 P00352 1/20 0.58
GAA P10253 1/20 0.58
TSHR P16473 1/20 0.58
MEN1 O00255 2/20 0.57
KMT2A Q03164 2/20 0.57
NR4A2 P43354 2/20 0.56
GPR132 Q9UNW8 1/20 0.56
MAOB P27338 1/20 0.53
BRD4 O60885 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
L3MBTL1 Q9Y468 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
SCHEMBL5936603 0.85 SMPD1 (0.56) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL5936626 0.83 BRD4 (0.60) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL11549645 0.83 BRD4 (0.70) HDAC1ALDH1A1GAAMEN1KMT2A
SCHEMBL38660185 0.83 BRD4 (0.70) HDAC1ALDH1A1GAAMEN1KMT2A
SCHEMBL38659760 0.81 MEN1 (0.62) HDAC1HDAC8HDAC6ALDH1A1TSHR
SCHEMBL7713160 0.80 SMPD1 (0.64) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7049305 0.80 SMPD1 (0.60) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7076463 0.79 SMPD1 (0.52) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL38660966 0.79 MEN1 (0.60) ALDH1A1MEN1KMT2ABRD4MRGPRX4
SCHEMBL7710629 0.79 KDM4E (0.66) SMPD1NR1H4HDAC1HDAC8HDAC6

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP claimed