SCHEMBL8459798

SCHEMBL8459798

CC(=O)Oc1ccc(C(=O)c2ccc3c(c2)C(=O)c2ccccc2-3)n1C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TTR P02766 3/20 0.46
S100A4 P26447 1/20 0.46
PTPRC P08575 5/20 0.43
NPC1 O15118 4/20 0.43
RAB9A P51151 4/20 0.43
ATM Q13315 1/20 0.43
ALDH1A1 P00352 6/20 0.42
GAA P10253 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR7 P34969 1/20 0.41
HTR2B P41595 1/20 0.41
HPGD P15428 2/20 0.41
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 4/20 0.39
LMNA P02545 2/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
MAOA P21397 1/20 0.38
RECQL P46063 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL8461622 0.80 CES2 (0.42) NPC1RAB9AALDH1A1HPGDMAPT
SCHEMBL8458233 0.78 MAPT (0.46) RAB9AATMGAAL3MBTL1MAPT
SCHEMBL21359198 0.76 CXCL8 (0.54) ALDH1A1GAAL3MBTL1HPGDSMN1; SMN2
SCHEMBL8459795 0.76 CXCL8 (0.59) TTRS100A4PTPRCNPC1RAB9A
SCHEMBL27370571 0.74 CXCL8 (0.52) ALDH1A1GAAL3MBTL1HPGDSMN1; SMN2
SCHEMBL8014885 0.70 S100A4 (0.86) TTRS100A4PTPRCNPC1RAB9A
SCHEMBL31268599 0.70 S100A4 (0.86) TTRS100A4PTPRCNPC1RAB9A
SCHEMBL27560697 0.70 TTR (0.72) TTRS100A4PTPRCNPC1RAB9A
SCHEMBL4642778 0.70 MAPT (0.61) TTRS100A4PTPRCNPC1RAB9A
SCHEMBL13849150 0.69 TTR (0.63) TTRS100A4PTPRCNPC1RAB9A

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
US-5859042-A ALOPECIA, ACNE, DISEASES OF THE PROSTATE GLANDS ONO PHARMACEUTICAL CO., LTD. (JP) 1999-01-12 US claimed