SCHEMBL3409923

SCHEMBL3409923

Cc1ccc(N(CC2(Sc3ccccc3-c3ccccc3)CCCCC2)C(=O)Nc2c(C(C)C)cccc2C(C)C)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SOAT2 O75908 1/20 0.39
ACAT1 P24752 1/20 0.39
SOAT1 P35610 1/20 0.39
NLRP3 Q96P20 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
TDP1 Q9NUW8 1/20 0.35
LMNA P02545 2/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
UBE2M P61081 1/20 0.34
DCUN1D1 Q96GG9 1/20 0.34
LPAR1 Q92633 1/20 0.33

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
SCHEMBL3414055 0.79 SOAT1 (0.48) SOAT2ACAT1SOAT1KMT2AMEN1
SCHEMBL3413997 0.78 SOAT1 (0.49) SOAT2ACAT1SOAT1KMT2AMEN1
SCHEMBL3409925 0.73 KMT2A (0.36) NLRP3KMT2AMEN1TDP1LMNA
SCHEMBL13083184 0.72 SOAT1 (0.41) SOAT2ACAT1SOAT1
SCHEMBL10189418 0.71 SOAT2 (0.48) SOAT2SOAT1NLRP3KMT2ALMNA
SCHEMBL13083298 0.71 SOAT1 (0.42) SOAT2ACAT1SOAT1
SCHEMBL3410909 0.70 NLRP3 (0.46) NLRP3
SCHEMBL3412551 0.67 SOAT1 (0.52) SOAT2ACAT1SOAT1NLRP3KMT2A
SCHEMBL854439 0.66 SOAT2 (0.47) SOAT2ACAT1SOAT1NLRP3SMN1; SMN2
SCHEMBL3410552 0.65 SOAT1 (0.53) SOAT2ACAT1SOAT1KMT2AMEN1

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-2200979-A1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2010-06-30 EP disclosed
WO-2009030752-A1 NOVEL DERIVATIVES OF PHENYLUREAS, INHIBITORS OF THE SOAT-1 ENZYME, PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 WO disclosed