SCHEMBL18595403

SCHEMBL18595403

Cc1ccc(N(C)O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.60
TSHR P16473 2/20 0.60
ACHE P22303 4/20 0.47
TDP1 Q9NUW8 1/20 0.47
CA2 P00918 2/20 0.43
LPL P06858 1/20 0.43
LIPG Q9Y5X9 1/20 0.43
MAPT P10636 1/20 0.43
MCOLN3 Q8TDD5 1/20 0.43
RAB9A P51151 2/20 0.41
CHRNA7 P36544 1/20 0.40
ALOX15 P16050 1/20 0.40
HSD17B10 Q99714 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
CYP2C19 P33261 1/20 0.38
LMNA P02545 1/20 0.38
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
ORAI1 Q96D31 1/20 0.38
ORAI2 Q96SN7 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
SCHEMBL10579168 0.87 ALDH1A1 (0.50) ALDH1A1TSHRTDP1MAPTRAB9A
SCHEMBL2138626 0.79 ALDH1A1 (0.55) ALDH1A1TSHRACHETDP1CA2
SCHEMBL916588 0.79 ALDH1A1 (0.55) ALDH1A1TSHRACHETDP1CA2
SCHEMBL24277822 0.77 APP (0.50) ALDH1A1TSHRACHETDP1CA2
Methyl Alcohol SCHEMBL9500919 0.77 ALDH1A1 (0.88) ALDH1A1TSHRACHETDP1MAPT
Fluoride SCHEMBL3700550 0.77 ALDH1A1 (0.88) ALDH1A1TSHRACHETDP1MAPT
SCHEMBL20678561 0.75 ALDH1A1 (1.00) ALDH1A1TSHRACHETDP1MAPT
SCHEMBL22083898 0.75 ALDH1A1 (0.67) ALDH1A1TSHRACHETDP1CA2
SCHEMBL28378 0.75 ALDH1A1 (1.00) ALDH1A1TSHRACHETDP1MAPT
SCHEMBL812498 0.75 ALDH1A1 (0.67) ALDH1A1TSHRACHETDP1CA2

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-9590184-B2 Organic light-emitting diode SAMSUNG DISPLAY CO., LTD. (KR) 2017-03-07 US disclosed