SCHEMBL9316461

SCHEMBL9316461

CC(C)c1cccc(C(C)C)c1NC(=O)CC(=O)CC(OC1CCCCO1)(c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 6/20 0.43
SOAT2 O75908 3/20 0.43
KMT2A Q03164 4/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
SLC6A3 Q01959 1/20 0.35

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
SCHEMBL9315916 0.77 SLC6A3 (0.39) SMN1; SMN2ALDH1A1KDM4ESLC6A3
SCHEMBL9316545 0.77 MEN1 (0.45) SOAT1KMT2AMEN1TDP1SMN1; SMN2
SCHEMBL5929952 0.67 MEN1 (0.40) KMT2AMEN1ALDH1A1SLC6A3
SCHEMBL9316323 0.66 SOAT1 (0.67) SOAT1SOAT2KMT2AMEN1TDP1
SCHEMBL9843936 0.66 SMN1; SMN2 (0.77) SOAT1SOAT2KMT2AMEN1TDP1
SCHEMBL5689417 0.65 SLC6A3 (0.42) KMT2AMEN1LMNASLC6A3
SCHEMBL9316603 0.65 SOAT1 (0.58) SOAT1SOAT2KMT2AMEN1TDP1
SCHEMBL2148218 0.65 SMN1; SMN2 (0.70) SOAT1SOAT2KMT2AMEN1TDP1
SCHEMBL5686699 0.65 SLC6A3 (0.45) KMT2AMEN1SLC6A3
SCHEMBL5570411 0.65 MEN1 (0.40) KMT2AMEN1TDP1ALDH1A1SLC6A3

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