SCHEMBL11048616

SCHEMBL11048616

CC(C)(C)c1ccc(N[C]=O)c(C(C)(C)C)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
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
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
RELA Q04206 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
ATG4B Q9Y4P1 1/20 0.34
MAPK1 P28482 2/20 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
SCHEMBL10627697 0.78 ALDH1A1 (0.41) CYP2C9ALDH1A1HPGDALOX15HSD17B10
SCHEMBL7572645 0.76 MAPK1 (0.42) CYP2C9ALDH1A1NPC1CASP3RAB9A
SCHEMBL10464270 0.75 NR5A2 (0.41) CYP2C9ALDH1A1ALOX15TDP1ACLY
SCHEMBL3210884 0.75 ALDH1A1 (0.39) CYP2C9ALDH1A1HPGDALOX15HSD17B10
SCHEMBL2092041 0.75 GRIN2D (0.41) ALDH1A1TDP1L3MBTL1GAAKMT2A
SCHEMBL11048618 0.74 MAPK1 (0.55) CYP2C9ALDH1A1HPGDALOX15HSD17B10
SCHEMBL5470225 0.74 HTT (0.49) CYP2C9ALDH1A1HPGDMAPK1MAPT
SCHEMBL10762782 0.73 CYP2C9 (0.50) CYP2C9ALDH1A1HPGDNPC1CASP3
Phosphoric Acid SCHEMBL28310054 0.73 CYP2C9 (0.44) CYP2C9ALDH1A1HPGDALOX15HSD17B10
SCHEMBL7223016 0.73 CYP2C9 (0.50) CYP2C9ALDH1A1HPGDHSD17B10TDP1

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