SCHEMBL11238283

SCHEMBL11238283

C=CCNC(=O)NC(C)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.46
KMT2A Q03164 2/20 0.46
MEN1 O00255 1/20 0.46
ALDH1A1 P00352 3/20 0.43
MAPT P10636 4/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
NPSR1 Q6W5P4 1/20 0.37
FAAH O00519 1/20 0.37
MME P08473 1/20 0.37
ACE P12821 1/20 0.37
CPA1 P15085 1/20 0.37
ACE2 Q9BYF1 1/20 0.37
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL11238285 1.00 TSHR (0.46) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL7259180 0.75 MEN1 (0.51) TSHRKMT2AMEN1ALDH1A1MAPT
SCHEMBL725364 0.75
SCHEMBL253527 0.75
SCHEMBL905194 0.75
Water SCHEMBL23295864 0.74 ALDH1A1 (0.37) TSHRKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL27489343 0.74 ALDH1A1 (0.37) TSHRKMT2AALDH1A1MAPTSMN1; SMN2
Methane SCHEMBL8576129 0.74 ALDH1A1 (0.37) TSHRKMT2AALDH1A1MAPTSMN1; SMN2
SCHEMBL21202140 0.73 SMN1; SMN2 (0.47) TSHRKMT2AMEN1ALDH1A1SMN1; SMN2
SCHEMBL18180339 0.73 SMN1; SMN2 (0.47) TSHRKMT2AMEN1ALDH1A1SMN1; 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
JP-57091994-A None JP disclosed
JP-S5791994-A 5'-O-(N-ALKYLCARBAMOYLALANYL)-5-FLUOROURIDINE AND ITS PREPARATION FUJI KAGAKU KOGYO KK 1982-06-08 JP disclosed