SCHEMBL3406348

SCHEMBL3406348

CC(C)c1cccc(C(C)C)c1N(C(=O)NC(Oc1ccccc1)C1CCCCC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
RAB9A P51151 2/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
NPC1 O15118 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPK1 P28482 1/20 0.36
KMT2A Q03164 1/20 0.36
METAP2 P50579 3/20 0.36
METAP1 P53582 2/20 0.36
POLB P06746 1/20 0.36
KDM4E B2RXH2 1/20 0.36
NPY5R Q15761 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
GHSR Q92847 1/20 0.35

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
SCHEMBL3405667 0.79 PKM (0.39) PKMLMNAALDH1A1METAP2METAP1
SCHEMBL3412535 0.78 NMBR (0.48) LMNAKMT2A
SCHEMBL3405365 0.76 PKM (0.36) PKMRAB9ALMNANPC1METAP2
SCHEMBL11424795 0.66 TAS1R3 (0.42) METAP2METAP1
SCHEMBL3414079 0.66 NMBR (0.49) LMNAMEN1ALDH1A1KMT2A
SCHEMBL11417441 0.65 PKM (0.49) PKMRAB9ALMNASMN1; SMN2NPC1
SCHEMBL11423757 0.65 PKM (0.49) PKMRAB9ALMNASMN1; SMN2NPC1
Benzene SCHEMBL11579847 0.64 NPSR1 (0.50) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL1400577 0.64 NPSR1 (0.50) RAB9ALMNASMN1; SMN2NPC1HPGD
SCHEMBL11414458 0.63 PKM (0.47) PKMRAB9ALMNASMN1; SMN2NPC1

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