SCHEMBL9680229

SCHEMBL9680229

CC(C)c1cccc(C(C)C)c1NC(=O)CNC(C)c1cccc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.54
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
KDM4E B2RXH2 1/20 0.48
SOAT2 O75908 2/20 0.48
SOAT1 P35610 2/20 0.48
TDP1 Q9NUW8 1/20 0.47
LMNA P02545 2/20 0.47
GAA P10253 1/20 0.44
CASR P41180 1/20 0.44
EPHX2 P34913 2/20 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
SCHEMBL9678718 0.85 KMT2A (0.55) SMN1; SMN2KMT2AMEN1KDM4ESOAT2
SCHEMBL9678591 0.82 KMT2A (0.63) SMN1; SMN2KMT2AMEN1KDM4ESOAT2
SCHEMBL9678933 0.82 KMT2A (0.63) SMN1; SMN2KMT2AMEN1KDM4ESOAT2
SCHEMBL9678585 0.82 KMT2A (0.63) SMN1; SMN2KMT2AMEN1KDM4ESOAT2
SCHEMBL9680727 0.82 SMN1; SMN2 (0.60) SMN1; SMN2KMT2AMEN1KDM4ESOAT2
SCHEMBL20377967 0.80 EPHX2 (0.52) LMNAGAACASREPHX2
SCHEMBL16034079 0.80 EPHX2 (0.52) LMNAGAACASREPHX2
SCHEMBL20377971 0.80 EPHX2 (0.52) LMNAGAACASREPHX2
SCHEMBL9514720 0.80 TRPV1 (0.57) KMT2AMEN1LMNAGAAEPHX2
SCHEMBL9513695 0.80 TRPV1 (0.57) KMT2AMEN1LMNAGAAEPHX2

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