SCHEMBL3407235

SCHEMBL3407235

CC(C)c1cccc(C(C)C)c1NC(=O)N(CC1(OCc2ccccc2)CCCCC1)N(C(=O)NCC1(Oc2ccccc2)CCCCC1)c1c(C(C)C)cccc1C(C)C

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SOAT1 P35610 7/20 0.37
SOAT2 O75908 3/20 0.36
ACAT1 P24752 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35
PTGES O14684 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
SCHEMBL3409675 0.77 SOAT1 (0.52) SOAT1SOAT2ACAT1
SCHEMBL3412530 0.77 SOAT1 (0.53) SOAT1SOAT2ACAT1
SCHEMBL3404851 0.70 NLRP3 (0.41) SOAT1SOAT2ACAT1
SCHEMBL3414072 0.65 SOAT1 (0.48) SOAT1SOAT2ACAT1
SCHEMBL9765050 0.64 SOAT1 (0.51) SOAT1SOAT2ACAT1UBE2MDCUN1D1
SCHEMBL9818587 0.64 SOAT1 (0.64) SOAT1SOAT2ACAT1
SCHEMBL9818605 0.63 SOAT1 (0.66) SOAT1SOAT2ACAT1
SCHEMBL14236583 0.63 SOAT1 (0.54) SOAT1SOAT2ACAT1
SCHEMBL6803622 0.62 NMBR (0.45) SOAT1SOAT2ACAT1UBE2MDCUN1D1
SCHEMBL11143056 0.62 ALDH1A1 (0.58) SOAT1SOAT2UBE2MDCUN1D1PTGES

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 claimed
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 claimed