SCHEMBL28463521

SCHEMBL28463521

CCCCCCOC(=O)c1ccccc1N(C)C

nearest known ligand 0.74

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.74
TSHR P16473 5/20 0.74
LMNA P02545 3/20 0.74
MAPK1 P28482 3/20 0.71
CYP3A4 P08684 2/20 0.71
TP53 P04637 1/20 0.71
KDM4E B2RXH2 3/20 0.65
HSD17B10 Q99714 2/20 0.65
POLB P06746 1/20 0.65
L3MBTL1 Q9Y468 3/20 0.64
TDP1 Q9NUW8 2/20 0.64
MAPT P10636 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49

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
SCHEMBL5665990 1.00 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL9304560 1.00 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL10883494 1.00 ALDH1A1 (0.74) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL3396026 0.98 TSHR (0.73) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL3415538 0.94 TSHR (0.73) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL11529221 0.92 ALDH1A1 (0.63) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28411424 0.88 ALDH1A1 (0.71) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL28994751 0.87 ALDH1A1 (0.72) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL5072881 0.86 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4
SCHEMBL2527136 0.86 ALDH1A1 (1.00) ALDH1A1TSHRLMNAMAPK1CYP3A4

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
CN-105963159-B Gel paste composition and cosmetic material using the same 信越化学工业株式会社 2020-10-09 CN disclosed