SCHEMBL1123496

SCHEMBL1123496

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

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.60
TSHR P16473 2/20 0.56
ALDH1A1 P00352 1/20 0.56
GAA P10253 1/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ABCB1 P08183 1/20 0.56
SMPD1 P17405 3/20 0.56
NR1H4 Q96RI1 3/20 0.55
HDAC1 Q13547 1/20 0.55
HDAC8 Q9BY41 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
MAOB P27338 1/20 0.52
SMN1; SMN2 Q16637 3/20 0.52
NPC1 O15118 2/20 0.52
RAB9A P51151 2/20 0.52
CASP3 P42574 1/20 0.52
TAAR1 Q96RJ0 1/20 0.52
SENP7 Q9BQF6 1/20 0.52
MAPT P10636 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
SCHEMBL1123386 0.95 CFD (0.61) CFDTSHRALDH1A1GAAMEN1
SCHEMBL1123026 0.90 SMPD1 (0.59) CFDTSHRALDH1A1GAAMEN1
SCHEMBL1123136 0.85 SMPD1 (0.60) CFDTSHRALDH1A1GAAMEN1
SCHEMBL7713160 0.83 SMPD1 (0.64) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL1123169 0.80 SENP7 (0.61) CFDMEN1KMT2AHDAC1SMN1; SMN2
SCHEMBL7710629 0.80 KDM4E (0.66) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL1122722 0.77 MAOB (0.68) MEN1KMT2ASMPD1MAOBSMN1; SMN2
SCHEMBL7076910 0.76 HDAC1 (0.59) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL16397074 0.76 CFD (0.65) CFDTSHRALDH1A1MEN1KMT2A
SCHEMBL1123091 0.76 SMPD1 (0.69) TSHRALDH1A1GAAMEN1KMT2A

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