SCHEMBL1123386

SCHEMBL1123386

COC(=O)Cc1ccccc1NC(=O)c1cccc(OCc2cccc(OCc3ccccc3)c2)c1

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CFD P00746 1/20 0.61
ABCB1 P08183 1/20 0.60
TSHR P16473 2/20 0.57
ALDH1A1 P00352 1/20 0.57
GAA P10253 1/20 0.57
MEN1 O00255 3/20 0.57
KMT2A Q03164 3/20 0.57
SMPD1 P17405 2/20 0.57
NR1H4 Q96RI1 4/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
MAOB P27338 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
NR4A2 P43354 1/20 0.52
GPR132 Q9UNW8 1/20 0.50

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
SCHEMBL1123496 0.95 CFD (0.60) CFDABCB1TSHRALDH1A1GAA
SCHEMBL1123136 0.90 SMPD1 (0.60) CFDABCB1TSHRALDH1A1GAA
SCHEMBL1123026 0.85 SMPD1 (0.59) CFDABCB1TSHRALDH1A1GAA
SCHEMBL7713160 0.84 SMPD1 (0.64) ABCB1TSHRALDH1A1GAAMEN1
SCHEMBL7710629 0.81 KDM4E (0.66) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL2848161 0.79 MAOB (0.60) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL16397074 0.77 CFD (0.65) CFDABCB1TSHRALDH1A1MEN1
SCHEMBL6358261 0.77 ALDH1A1 (0.66) TSHRALDH1A1GAAMEN1KMT2A
SCHEMBL1122805 0.76 MRGPRX4 (0.71) MEN1KMT2ASMPD1NR1H4MAOB
SCHEMBL16396465 0.76 CFD (1.00) CFDABCB1

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