SCHEMBL6437847

SCHEMBL6437847

CCN(CC)c1ccc2c(c1)Cc1c-2ccc2ccccc12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.43
CYP3A4 P08684 2/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
TERT O14746 1/20 0.41
SLC2A1 P11166 1/20 0.38
MEN1 O00255 4/20 0.38
KMT2A Q03164 4/20 0.38
NPC1 O15118 2/20 0.38
CYP19A1 P11511 1/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 4/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
MAPK1 P28482 2/20 0.36
HPGD P15428 1/20 0.36
TDP1 Q9NUW8 2/20 0.36
KDM4E B2RXH2 2/20 0.36
GAA P10253 2/20 0.36

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
SCHEMBL6434523 0.88 CYP1A2 (0.44) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL2837782 0.85 CYP3A4 (0.45) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL7870880 0.80 HSD17B10 (0.50) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL4894950 0.78 CYP3A4 (0.53) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL3419436 0.77 CYP1A2 (0.66) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL19194659 0.77 CYP1A2 (0.54) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL8946519 0.76 CA1 (0.63)
SCHEMBL19194666 0.74 CYP1A2 (0.51) HSD17B10CYP3A4CYP1A2CYP2D6CYP2C9
SCHEMBL30585507 0.74 ANPEP (0.41) HSD17B10CYP1A2CYP2C19ALDH1A1HPGD
SCHEMBL1155357 0.74 ANPEP (0.41) HSD17B10CYP1A2CYP2C19ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1537853-A1 Use of a composition comprising a compound comprising a lacton ring and/or a corresponding coloring agent with an open ring for dyeing keratinuous fibers L'OREAL (FR) 2005-06-08 EP claimed
CN-107984936-B Reusable writing material and preparation method thereof 吉林大学 2022-05-06 CN disclosed
EP-1537853-A1 Use of a composition comprising a compound comprising a lacton ring and/or a corresponding coloring agent with an open ring for dyeing keratinuous fibers L'OREAL (FR) 2005-06-08 EP disclosed