SCHEMBL8041519

SCHEMBL8041519

C=CCS(=O)(=O)CC(=O)Nc1c(C(C)C)cccc1C(C)C

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.55
SOAT1 P35610 2/20 0.50
KMT2A Q03164 2/20 0.48
MEN1 O00255 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
SOAT2 O75908 1/20 0.46
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.44

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
SCHEMBL9136172 0.80 SMN1; SMN2 (0.64) SMN1; SMN2SOAT1KMT2AMEN1TDP1
SCHEMBL8962535 0.77 SMN1; SMN2 (0.60) SMN1; SMN2SOAT1KMT2AMEN1TDP1
SCHEMBL8041530 0.77 SMN1; SMN2 (0.56) SMN1; SMN2SOAT1KMT2AMEN1TDP1
SCHEMBL8941392 0.77 SMN1; SMN2 (0.56) SMN1; SMN2SOAT1KMT2AMEN1TDP1
SCHEMBL9049710 0.76
SCHEMBL9048720 0.76
SCHEMBL9050657 0.76
SCHEMBL9051453 0.76
SCHEMBL9048010 0.76
SCHEMBL9843936 0.76 SMN1; SMN2 (0.77) SMN1; SMN2SOAT1KMT2AMEN1TDP1

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-0874812-B1 NOVEL 2,3,5-TRIMETHYL-4-HYDROXY ANILIDE DERIVATIVES, PREPARATION THEREOF AND THERAPEUTICAL USE THEREOF PF MEDICAMENT (FR) 2000-04-05 EP disclosed