SCHEMBL8780914

SCHEMBL8780914

CCN(CCOC(=O)c1ccccc1O)C(=N)N

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 3/20 0.54
▸ SCN1A P35498 3/20 0.46
▸ SCN2A Q99250 3/20 0.46
▸ SCN3A Q9NY46 3/20 0.46
▸ ALDH1A1 P00352 4/20 0.45
▸ TSHR P16473 5/20 0.43
▸ L3MBTL1 Q9Y468 3/20 0.43
▸ LMNA P02545 3/20 0.43
▸ BCHE P06276 1/20 0.43
▸ TP53 P04637 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ KMT2A Q03164 2/20 0.42
▸ HTT P42858 1/20 0.42
▸ HSD17B10 Q99714 1/20 0.42

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
SCHEMBL6410563 0.84 TDP1 (0.56) TDP1SCN1ASCN2ASCN3AALDH1A1
Detanosal SCHEMBL2110875 0.80 SCN1A (0.68) TDP1SCN1ASCN2ASCN3AALDH1A1
Detanosal SCHEMBL30397539 0.79 SCN1A (0.66) TDP1SCN1ASCN2ASCN3AALDH1A1
Detanosal SCHEMBL29163805 0.79 SCN1A (0.66) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL6414201 0.79 TDP1 (0.61) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL6410343 0.78 TDP1 (0.52) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL6407785 0.78 TDP1 (0.52) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL6414108 0.78 TDP1 (0.60) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL8637116 0.77 TDP1 (0.67) TDP1SCN1ASCN2ASCN3AALDH1A1
SCHEMBL6933315 0.77 TDP1 (0.58) TDP1SCN1ASCN2ASCN3AALDH1A1

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-0805674-A1 SKIN AND HAIR COSMETIC COMPOSITIONS Kao Corporation (JP) 1997-11-12 — — EP disclosed
WO-1997014401-A1 SKIN AND HAIR COSMETIC COMPOSITIONS KAO CORPORATION (JP) 1997-04-24 — — WO disclosed
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