SCHEMBL9316237

SCHEMBL9316237

CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)CCCCCCCCCCCO

nearest known ligand 0.56

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.56
SOAT1 P35610 4/20 0.54
SOAT2 O75908 1/20 0.50
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49

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
SCHEMBL6271806 0.90 SOAT1 (0.61) SMN1; SMN2SOAT1
SCHEMBL9315973 0.89 SOAT1 (0.64) SMN1; SMN2SOAT1
SCHEMBL9317529 0.89 SOAT1 (0.64) SMN1; SMN2SOAT1
SCHEMBL9316620 0.89 SOAT1 (0.64) SMN1; SMN2SOAT1
SCHEMBL9316503 0.89 SOAT1 (0.64) SMN1; SMN2SOAT1
SCHEMBL9317566 0.89 SOAT1 (0.64) SMN1; SMN2SOAT1
SCHEMBL9316540 0.89 SOAT1 (0.64) SMN1; SMN2SOAT1
SCHEMBL9843936 0.80 SMN1; SMN2 (0.77) SMN1; SMN2SOAT1SOAT2MEN1KMT2A
SCHEMBL9315931 0.79 SOAT1 (0.55) SOAT1
SCHEMBL10699124 0.78 SOAT1 (0.69) SMN1; SMN2SOAT1

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-5278326-A Aromatic WARNER-LAMBERT COMPANY (US) 1994-01-11 US disclosed