SCHEMBL9679595

SCHEMBL9679595

CCOC(=O)CNC(=O)N(CC(=O)Nc1c(C(C)C)cccc1C(C)C)C(c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
NLRP3 Q96P20 2/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.42
KDM4E B2RXH2 1/20 0.41

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
SCHEMBL9680221 0.81 KMT2A (0.49) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9678803 0.80 KMT2A (0.50) MEN1KMT2ASMN1; SMN2
SCHEMBL9851048 0.79 KMT2A (0.54) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9680252 0.77 LPAR1 (0.58) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9680196 0.74 KMT2A (0.45) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL9680708 0.74 LPAR1 (0.49) MEN1KMT2ASMN1; SMN2
SCHEMBL9681037 0.74 KMT2A (0.47) MEN1KMT2ASMN1; SMN2
SCHEMBL2147884 0.74 NLRP3 (0.70) NLRP3MEN1KMT2ASMN1; SMN2
SCHEMBL9679644 0.73 KMT2A (0.44) MEN1KMT2ASMN1; SMN2KDM4E
SCHEMBL13328399 0.72 NLRP3 (0.58) NLRP3MEN1KMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP claimed
US-5153226-A Administering as anticholesterol agents, for atherosclerosis WARNER-LAMBERT COMPANY (US) 1992-10-06 US disclosed
EP-0415413-A1 Acat inhibitors WARNER-LAMBERT COMPANY (US) 1991-03-06 EP disclosed