SCHEMBL10909299

SCHEMBL10909299

[CH2]CC(=O)OCC(O)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
PKM P14618 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
LMNA P02545 4/20 0.42
BCAT2 O15382 1/20 0.42
KDM4E B2RXH2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
ALDH1A1 P00352 1/20 0.41
MAPK1 P28482 1/20 0.39
AOC3 Q16853 3/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL4352840 0.82 LMNA (0.52) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL2836235 0.81 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL2836233 0.81 SMN1; SMN2 (0.48) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL28604790 0.79 LMNA (0.48) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL5566856 0.78 ALDH1A1 (0.50) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL10362252 0.78 ALDH1A1 (0.50) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL28397665 0.78 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
SCHEMBL4954685 0.78 CHRM1 (0.53) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
Styramate SCHEMBL22716369 0.78 SMN1; SMN2 (0.70) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1
Styramate SCHEMBL487238 0.78 SMN1; SMN2 (0.70) SMN1; SMN2CYP1A2CYP2D6PKMNPSR1

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-4619992-A IMPROVED COLORFASTNESS BASF AKTIENGESELLSCHAFT (DE) 1986-10-28 US disclosed