SCHEMBL9754297

SCHEMBL9754297

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

nearest known ligand 0.57

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.57
LMNA P02545 1/20 0.57
SMN1; SMN2 Q16637 1/20 0.53
SOAT2 O75908 1/20 0.47
SOAT1 P35610 1/20 0.47
MEN1 O00255 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NLRP3 Q96P20 2/20 0.44
LPAR1 Q92633 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
SCHEMBL901604 0.84 KMT2A (0.57) KMT2ALMNASMN1; SMN2SOAT2SOAT1
SCHEMBL9678499 0.83 SMN1; SMN2 (0.53) KMT2ALMNASMN1; SMN2SOAT2SOAT1
SCHEMBL31155743 0.81 KMT2A (0.58) KMT2ALMNASMN1; SMN2SOAT2SOAT1
SCHEMBL9470522 0.79 SMN1; SMN2 (0.60) KMT2ALMNASMN1; SMN2SOAT2SOAT1
SCHEMBL19422608 0.79 SMN1; SMN2 (0.55) KMT2ALMNASMN1; SMN2MEN1TDP1
SCHEMBL8845511 0.78 KMT2A (0.68) KMT2ALMNASMN1; SMN2SOAT2SOAT1
SCHEMBL462304 0.76 LPAR1 (0.66) KMT2ALMNASMN1; SMN2MEN1TDP1
SCHEMBL6429941 0.76 KMT2A (0.65) KMT2ALMNASMN1; SMN2SOAT2SOAT1
SCHEMBL9844183 0.76 KMT2A (0.50) KMT2ALMNASMN1; SMN2SOAT2SOAT1
SCHEMBL30977624 0.75 KMT2A (0.64) KMT2ALMNASMN1; SMN2SOAT2SOAT1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1991015464-A1 AMIDE ESTER ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-10-17 WO claimed
WO-1991015464-A1 AMIDE ESTER ACAT INHIBITORS WARNER-LAMBERT COMPANY (US) 1991-10-17 WO disclosed