SCHEMBL1123026

SCHEMBL1123026

O=C(O)Cc1ccccc1NC(=O)c1cccc(OCc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.59
NR1H4 Q96RI1 2/20 0.58
SUCNR1 Q9BXA5 6/20 0.58
CFD P00746 1/20 0.58
F11 P03951 1/20 0.58
TPSB2 P20231 1/20 0.58
HDAC1 Q13547 1/20 0.58
HDAC8 Q9BY41 1/20 0.58
HDAC6 Q9UBN7 1/20 0.58
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
TSHR P16473 1/20 0.57
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
CASP3 P42574 1/20 0.55
TAAR1 Q96RJ0 1/20 0.55
SENP7 Q9BQF6 1/20 0.55

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
SCHEMBL1123136 0.94 SMPD1 (0.60) SMPD1NR1H4SUCNR1CFDF11
SCHEMBL1123496 0.90 CFD (0.60) SMPD1NR1H4CFDHDAC1HDAC8
SCHEMBL7713160 0.86 SMPD1 (0.64) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL1123386 0.85 CFD (0.61) SMPD1NR1H4CFDHDAC1HDAC8
SCHEMBL1123363 0.80 SENP7 (0.62) NR1H4HDAC1MEN1KMT2ANPC1
SCHEMBL7076910 0.79 HDAC1 (0.59) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7049305 0.79 SMPD1 (0.60) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL1123091 0.79 SMPD1 (0.69) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7710629 0.78 KDM4E (0.66) SMPD1NR1H4HDAC1HDAC8HDAC6
SCHEMBL7052824 0.78 SMPD1 (0.62) 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 disclosed