SCHEMBL4615151

SCHEMBL4615151

Cc1c(NC(=O)CCC2CCCCC2)cccc1-c1ccc(C(=O)O)cc1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.66
KMT2A Q03164 5/20 0.66
MEN1 O00255 4/20 0.66
TDP1 Q9NUW8 2/20 0.66
HTT P42858 2/20 0.64
NPSR1 Q6W5P4 2/20 0.64
NPC1 O15118 4/20 0.54
SMN1; SMN2 Q16637 3/20 0.54
RAB9A P51151 3/20 0.54
HPGD P15428 2/20 0.54
NFKB1 P19838 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
HSD17B10 Q99714 1/20 0.54
GAA P10253 1/20 0.50
PKM P14618 1/20 0.50
LDLR P01130 5/20 0.48
CYP1A2 P05177 1/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48

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
SCHEMBL2353921 0.78 LDLR (0.61) ALDH1A1KMT2AMEN1NPSR1NPC1
SCHEMBL4615147 0.77 ALDH1A1 (0.58) ALDH1A1KMT2AMEN1TDP1HTT
SCHEMBL29788091 0.77 FFAR2 (0.51) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL2040639 0.77 FFAR2 (0.51) ALDH1A1KMT2AMEN1NPC1SMN1; SMN2
SCHEMBL11731614 0.76 ALDH1A1 (0.70) ALDH1A1KMT2AMEN1TDP1HTT
SCHEMBL11730422 0.74 ALDH1A1 (0.67) ALDH1A1KMT2AMEN1TDP1HTT
SCHEMBL3559504 0.71 ALDH1A1 (0.54) ALDH1A1KMT2AMEN1TDP1HTT
SCHEMBL6783138 0.71 LDLR (0.86) ALDH1A1KMT2AMEN1HTTNPSR1
SCHEMBL5648458 0.70 SMN1; SMN2 (0.53) ALDH1A1KMT2AMEN1HTTNPC1
SCHEMBL4945184 0.69 ALDH1A1 (0.59) ALDH1A1KMT2AMEN1TDP1HTT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1940786-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C Arrow Therapeutics Limited (GB) 2008-07-09 EP disclosed
WO-2007031791-A1 BIPHENYL DERIVATIVES AND THEIR USE IN TREATING HEPATITIS C ARROW THERAPEUTICS LIMITED (GB) 2007-03-22 WO disclosed