SCHEMBL6883495

SCHEMBL6883495

COC(=O)C(C#N)=C(O)c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.47
RAB9A P51151 5/20 0.47
ALDH1A1 P00352 4/20 0.47
MAPK1 P28482 3/20 0.47
LMNA P02545 2/20 0.47
XBP1 P17861 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
TSHR P16473 2/20 0.47
IDO1 P14902 2/20 0.44
NPC1 O15118 3/20 0.40
PKM P14618 1/20 0.40
MEN1 O00255 1/20 0.40
CRHBP P24387 1/20 0.40
KMT2A Q03164 1/20 0.40
CRHR2 Q13324 1/20 0.40
DHODH Q02127 1/20 0.40
SRC P12931 1/20 0.40
SMN1; SMN2 Q16637 3/20 0.39
GAA P10253 1/20 0.38
CES2 O00748 1/20 0.38

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
SCHEMBL13972678 0.88 MAPT (0.43) MAPTRAB9AALDH1A1MAPK1LMNA
SCHEMBL548361 0.86 ALDH1A1 (0.52) MAPTRAB9AALDH1A1MAPK1LMNA
SCHEMBL18078308 0.84 ALDH1A1 (0.46) MAPTRAB9AALDH1A1MAPK1LMNA
SCHEMBL18078309 0.84 ALDH1A1 (0.46) MAPTRAB9AALDH1A1MAPK1LMNA
SCHEMBL9228872 0.84 ALDH1A1 (0.46) MAPTRAB9AALDH1A1MAPK1LMNA
SCHEMBL9228875 0.84 ALDH1A1 (0.46) MAPTRAB9AALDH1A1MAPK1LMNA
SCHEMBL30149162 0.83 ALDH1A1 (0.45) MAPTRAB9AALDH1A1MAPK1LMNA
SCHEMBL28397590 0.83 ALDH1A1 (0.45) MAPTRAB9AALDH1A1MAPK1LMNA
SCHEMBL8076180 0.81 MAPT (0.56) MAPTRAB9AALDH1A1MAPK1LMNA
SCHEMBL13020969 0.81 RAB9A (0.51) MAPTRAB9AALDH1A1MAPK1LMNA

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-20040038234-A1 Sample generation for genotyping by mass spectrometry CONSORTIUM NATIONAL DE RECHERCHE EN GENOMIQUE (FR) 2004-02-26 US disclosed