SCHEMBL11048618

SCHEMBL11048618

CC(C)(C)c1ccc(NC=O)c(C(C)(C)C)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 3/20 0.55
MAPT P10636 3/20 0.55
NPSR1 Q6W5P4 2/20 0.55
CYP2C9 P11712 1/20 0.39
ALDH1A1 P00352 5/20 0.35
HPGD P15428 1/20 0.35
ALOX15 P16050 1/20 0.35
HSD17B10 Q99714 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
KDM5A P29375 2/20 0.35
ACLY P53396 1/20 0.35
NPC1 O15118 2/20 0.34
CASP3 P42574 2/20 0.34
RAB9A P51151 2/20 0.34
SENP8 Q96LD8 2/20 0.34
SENP7 Q9BQF6 2/20 0.34
SENP6 Q9GZR1 2/20 0.34
PLA2G1B P04054 1/20 0.34
NFKB1 P19838 1/20 0.34
NFKB2 Q00653 1/20 0.34

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
SCHEMBL23051004 0.79 MAPT (0.56) MAPK1MAPTNPSR1ALDH1A1HPGD
SCHEMBL10627697 0.78 ALDH1A1 (0.41) MAPK1MAPTNPSR1CYP2C9ALDH1A1
SCHEMBL11593770 0.77 MAPT (0.41) MAPK1MAPTNPSR1CYP2C9ALDH1A1
SCHEMBL12115605 0.76 MAPT (0.58) MAPK1MAPTNPSR1ALDH1A1HPGD
SCHEMBL9853733 0.76 MAPK1 (0.43) MAPK1MAPTNPSR1CYP2C9ALDH1A1
SCHEMBL3210884 0.75 ALDH1A1 (0.39) MAPK1MAPTNPSR1CYP2C9ALDH1A1
SCHEMBL2092044 0.75 TSHR (0.43) MAPK1MAPTNPSR1ALDH1A1TDP1
SCHEMBL11048616 0.74 CYP2C9 (0.39) MAPK1MAPTNPSR1CYP2C9ALDH1A1
SCHEMBL5470228 0.74 MAPT (0.72) MAPK1MAPTNPSR1CYP2C9ALDH1A1
SCHEMBL840581 0.74 MAPT (0.48) MAPK1MAPTNPSR1ALDH1A1NPC1

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-4464463-A FORMALDEHYDE-GAS SCAVENGER LOADED IN AN ULTRAVIOLET-ABSORBING ACRYLIC POLYMER LATEX FUJI PHOTO FILM CO., LTD. (JP) 1984-08-07 US disclosed