SCHEMBL3405667

SCHEMBL3405667

CC(C)c1cccc(C(C)C)c1N(C(=O)NC(Sc1ccccc1)C1CCCCC1)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.39
POLB P06746 1/20 0.36
METAP2 P50579 1/20 0.35
METAP1 P53582 1/20 0.35
EPHX1 P07099 2/20 0.35
LMNA P02545 2/20 0.35
NMBR P28336 1/20 0.35
KDM4E B2RXH2 1/20 0.34
EPHX2 P34913 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL3405365 0.94 PKM (0.36) PKMPOLBMETAP2METAP1EPHX1
SCHEMBL3406348 0.79 PKM (0.39) PKMPOLBMETAP2METAP1LMNA
SCHEMBL3410558 0.78 NMBR (0.48) LMNANMBR
SCHEMBL3412557 0.70 NLRP3 (0.46) EPHX1NMBREPHX2
SCHEMBL11424795 0.66 TAS1R3 (0.42) METAP2METAP1NMBREPHX2
SCHEMBL3414059 0.65 NMBR (0.47) LMNANMBRALDH1A1
SCHEMBL11423757 0.65 PKM (0.49) PKMPOLBEPHX1LMNAKDM4E
SCHEMBL11417441 0.65 PKM (0.49) PKMPOLBEPHX1LMNAKDM4E
SCHEMBL3414001 0.64 NMBR (0.45) LMNANMBRALDH1A1
SCHEMBL1400577 0.64 NPSR1 (0.50) POLBLMNAALDH1A1

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