SCHEMBL9679372

SCHEMBL9679372

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

nearest known ligand 0.77

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.77
MEN1 O00255 3/20 0.77
KDM4E B2RXH2 2/20 0.59
SMN1; SMN2 Q16637 1/20 0.56
SOAT2 O75908 2/20 0.53
SOAT1 P35610 2/20 0.53
LMNA P02545 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
ALDH1A1 P00352 1/20 0.49
L3MBTL1 Q9Y468 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
SCHEMBL9843989 0.83 KMT2A (0.58) KMT2AMEN1SMN1; SMN2SOAT2SOAT1
SCHEMBL9678591 0.82 KMT2A (0.63) KMT2AMEN1KDM4ESMN1; SMN2SOAT2
SCHEMBL9678933 0.82 KMT2A (0.63) KMT2AMEN1KDM4ESMN1; SMN2SOAT2
SCHEMBL9678585 0.82 KMT2A (0.63) KMT2AMEN1KDM4ESMN1; SMN2SOAT2
SCHEMBL9463084 0.82 KMT2A (0.67) KMT2AMEN1KDM4ESMN1; SMN2SOAT2
SCHEMBL9679362 0.82 KMT2A (0.63) KMT2AMEN1KDM4ESMN1; SMN2SOAT2
SCHEMBL8321568 0.80
SCHEMBL9316603 0.79 SOAT1 (0.58) KMT2AMEN1KDM4ESMN1; SMN2SOAT2
SCHEMBL9679244 0.78 KMT2A (0.52) KMT2AMEN1LMNA
SCHEMBL9317463 0.77 SOAT1 (0.67) KMT2AMEN1KDM4ESMN1; SMN2SOAT2

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
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