SCHEMBL11455366

SCHEMBL11455366

Cc1ccc(NC(=O)C(C)C)s1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.54
MAPT P10636 2/20 0.54
NFKB1 P19838 2/20 0.54
RAB9A P51151 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
NPC1 O15118 1/20 0.54
NFKB2 Q00653 1/20 0.54
RELA Q04206 1/20 0.54
GAA P10253 2/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
HSD17B10 Q99714 1/20 0.45
RAF1 P04049 1/20 0.43
MDM4 O15151 1/20 0.42
CCNE1 P24864 1/20 0.41
CDK2 P24941 1/20 0.41
CDK5 Q00535 1/20 0.41
ALDH1A1 P00352 5/20 0.41
RXFP1 Q9HBX9 2/20 0.41
MEN1 O00255 1/20 0.41

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
SCHEMBL1005754 0.79 NPC1 (0.67) TP53MAPTNFKB1RAB9ASMN1; SMN2
SCHEMBL14584377 0.78 HSD17B10 (0.75) TP53MAPTNFKB1RAB9ASMN1; SMN2
SCHEMBL11174292 0.76 NPC1 (0.58) TP53MAPTNFKB1RAB9ASMN1; SMN2
SCHEMBL5550842 0.76 NPC1 (0.58) TP53MAPTNFKB1RAB9ASMN1; SMN2
SCHEMBL2705561 0.74 NFKB1 (0.61) TP53MAPTNFKB1RAB9ASMN1; SMN2
SCHEMBL209971 0.73 NFKB1 (0.59) TP53MAPTNFKB1RAB9ASMN1; SMN2
SCHEMBL208477 0.72 NPC1 (0.53) TP53MAPTNFKB1RAB9ASMN1; SMN2
Lithium Ion SCHEMBL209972 0.72 NPC1 (0.53) TP53MAPTNFKB1RAB9ASMN1; SMN2
SCHEMBL13665379 0.72 GAA (0.37) TP53MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL11462094 0.70 RAB9A (0.51) TP53MAPTNFKB1RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4222946-A ANTIALLERGEN, HYPERSENSITIVITY LILLY INDUSTRIES, LIMITED (GB) 1980-09-16 US disclosed
US-4187232-A ANTIALLERGENS LILLY INDUSTRIES LIMITED (GB) 1980-02-05 US disclosed