Sugi Predict

Sugi Predict / Compounds / SCHEMBL9844349

SCHEMBL9844349

SCHEMBL9844349

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

nearest known ligand 0.53

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 3/20 0.53
▸ SOAT2 O75908 2/20 0.53
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ KMT2A Q03164 5/20 0.49
▸ LMNA P02545 1/20 0.49
▸ MEN1 O00255 4/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NLRP3 Q96P20 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.45

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
SCHEMBL13328399 0.87 NLRP3 (0.58) SOAT1SOAT2SMN1; SMN2KMT2ALMNA
SCHEMBL9844128 0.82 SOAT1 (0.55) SOAT1SOAT2SMN1; SMN2KMT2ALMNA
SCHEMBL2148218 0.79 SMN1; SMN2 (0.70) SOAT1SOAT2SMN1; SMN2KMT2ALMNA
Disofenin SCHEMBL135703 0.78 TDP1 (0.64) SOAT1SOAT2SMN1; SMN2KMT2ALMNA
Disofenin SCHEMBL29687882 0.77 TDP1 (0.62) SOAT1SOAT2SMN1; SMN2KMT2ALMNA
SCHEMBL9843936 0.77 SMN1; SMN2 (0.77) SOAT1SOAT2SMN1; SMN2KMT2ALMNA
SCHEMBL6899771 0.76 SOAT1 (0.62) SOAT1SOAT2SMN1; SMN2KMT2ALMNA
SCHEMBL9679857 0.75 SOAT2 (0.57) SOAT1SOAT2SMN1; SMN2KMT2ALMNA
SCHEMBL9316324 0.75 KMT2A (0.69) SOAT1SOAT2SMN1; SMN2KMT2ALMNA
SCHEMBL9843880 0.74 SOAT1 (0.53) SOAT1SOAT2SMN1; SMN2KMT2ALMNA

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-0433662-A2 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-06-26 — — EP claimed