SCHEMBL7792871

SCHEMBL7792871

CCO/C(=C(/C#N)C(=O)O)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.48
ALDH1A1 P00352 5/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.46
MAPT P10636 4/20 0.44
NPC1 O15118 4/20 0.44
RAB9A P51151 4/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
XBP1 P17861 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
POLB P06746 1/20 0.42
TSHR P16473 1/20 0.41
GAA P10253 2/20 0.40
KDM4E B2RXH2 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL6396731 0.86 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL7651529 0.82 ALDH1A1 (0.51) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL18740274 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL18740272 0.81 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL18758545 0.80 SMN1; SMN2 (0.48) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL2200157 0.80 SMN1; SMN2 (0.46) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL4739425 0.78 KMT2A (0.50) SMN1; SMN2ALDH1A1LMNAMAPTNPC1
Etocrylene SCHEMBL1768864 0.77 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
Etocrylene SCHEMBL39390 0.77 ALDH1A1 (0.62) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT
SCHEMBL8076180 0.77 MAPT (0.56) SMN1; SMN2ALDH1A1LMNAMAPK1MAPT

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
EP-0823435-B1 Phosphites, process for producing the same and their use SUMITOMO CHEMICAL CO (JP) 2001-11-21 EP disclosed