SCHEMBL9679689

SCHEMBL9679689

CC(C)c1cccc(C(C)C)c1NC(=O)CN(CC1(c2ccccc2)CCCC1)C(=O)Nc1ccc(F)cc1F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.45
SOAT2 O75908 1/20 0.42
ACAT1 P24752 1/20 0.42
SOAT1 P35610 1/20 0.42
LMNA P02545 1/20 0.42
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
MMP1 P03956 1/20 0.39
MMP2 P08253 1/20 0.39
MMP9 P14780 1/20 0.39
MMP8 P22894 1/20 0.39
MMP13 P45452 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
KDM4E B2RXH2 1/20 0.38
HTT P42858 1/20 0.38
NMBR P28336 1/20 0.38
P2RY1 P47900 1/20 0.38

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
SCHEMBL9680743 0.87 SOAT1 (0.51) SOAT2ACAT1SOAT1LMNAMEN1
SCHEMBL9679685 0.85 SOAT1 (0.48) SOAT2ACAT1SOAT1LMNAMEN1
SCHEMBL9679702 0.80 SOAT1 (0.49) SOAT2ACAT1SOAT1LMNAMEN1
SCHEMBL9765032 0.79 MMP1 (0.48) SOAT1ALDH1A1GAAMMP1MMP2
SCHEMBL9679354 0.78 SOAT1 (0.47) SOAT2ACAT1SOAT1LMNAMEN1
SCHEMBL9765041 0.77 SOAT1 (0.55) SOAT2ACAT1SOAT1
SCHEMBL9765050 0.76 SOAT1 (0.51) SOAT2ACAT1SOAT1LMNAALDH1A1
SCHEMBL9851011 0.75 RECQL (0.48) RECQLSOAT2SOAT1ALDH1A1GAA
SCHEMBL9765049 0.73 SOAT2 (0.48) SOAT2ACAT1SOAT1
SCHEMBL9678897 0.71 SOAT1 (0.57) SOAT2ACAT1SOAT1LMNAMEN1

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
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