SCHEMBL17988366

SCHEMBL17988366

CC/C(=N\O)c1cc(C)c(C)o1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
NPC1 O15118 3/20 0.37
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
ALPG P10696 1/20 0.36
GAA P10253 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
ALPL P05186 1/20 0.34
MITF O75030 1/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
NFKB2 Q00653 1/20 0.32
RELA Q04206 1/20 0.32
MGLL Q99685 1/20 0.32
ATM Q13315 1/20 0.31
AKR1C3 P42330 1/20 0.31

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
SCHEMBL13181122 0.74 TAS1R3 (0.53) TAS1R3TAS1R1NPC1RAB9ASMN1; SMN2
SCHEMBL17988331 0.74 NPC1 (0.40) TAS1R3TAS1R1NPC1RAB9ASMN1; SMN2
SCHEMBL17988329 0.71 HSD17B10 (0.52) SMN1; SMN2ALDH1A1HPGDGAAMEN1
SCHEMBL8036001 0.68 FLT3 (0.51) TAS1R3TAS1R1NPC1RAB9ASMN1; SMN2
SCHEMBL8035998 0.68 FLT3 (0.51) TAS1R3TAS1R1NPC1RAB9ASMN1; SMN2
SCHEMBL21653974 0.66 TAS1R3 (0.42) TAS1R3TAS1R1NPC1RAB9ASMN1; SMN2
SCHEMBL31571741 0.65 TAS1R3 (0.49) TAS1R3TAS1R1NPC1RAB9ASMN1; SMN2
SCHEMBL10242709 0.64 ALDH1A1 (0.50) TAS1R3TAS1R1NPC1RAB9ASMN1; SMN2
SCHEMBL13753328 0.64 TAS1R3 (0.59) TAS1R3TAS1R1NPC1RAB9ASMN1; SMN2
SCHEMBL2776826 0.63 CES2 (0.43) NPC1RAB9AALDH1A1HPGDGAA

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-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed
US-9411226-B2 Chemically amplified resist composition and patterning process SHIN-ETSU CHEMICAL CO., LTD. (JP) 2016-08-09 US disclosed