SCHEMBL3409844

SCHEMBL3409844

CC(C)c1cccc(C(C)C)c1NC(=O)NC(Nc1ccccc1-c1ccccn1)C1CCCCC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NMBR P28336 4/20 0.42
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
LPAR1 Q92633 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
NR4A1 P22736 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 1/20 0.37
KMT2A Q03164 1/20 0.37
NTRK1 P04629 1/20 0.36

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
SCHEMBL3404066 0.99 NMBR (0.41) NMBRTAS1R3TAS1R1LPAR1KDM4E
SCHEMBL3412550 0.86 NMBR (0.43) NMBRTAS1R3TAS1R1LPAR1ALDH1A1
SCHEMBL3409553 0.85 ALDH1A1 (0.47) NMBRTAS1R3TAS1R1LPAR1ALDH1A1
SCHEMBL3406377 0.85 ALDH1A1 (0.43) NMBRTAS1R3TAS1R1LPAR1ALDH1A1
SCHEMBL3407725 0.84 ALDH1A1 (0.48) NMBRTAS1R3TAS1R1LPAR1ALDH1A1
SCHEMBL3408427 0.84 NMBR (0.44) NMBRTAS1R3TAS1R1LPAR1ALDH1A1
SCHEMBL3405543 0.84 NMBR (0.41) NMBR
SCHEMBL3407686 0.83 NMBR (0.42) NMBRTAS1R3TAS1R1LPAR1ALDH1A1
SCHEMBL3405936 0.80 NMBR (0.47) NMBRTAS1R3TAS1R1LPAR1ALDH1A1
SCHEMBL3408378 0.74 NMBR (0.47) NMBRLMNAKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2197838-B1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RES & DEV (FR) 2013-10-23 EP claimed
EP-2197838-A1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM Galderma Research & Development (FR) 2010-06-23 EP claimed
WO-2009030746-A1 NOVEL PHENYLUREA DERIVATIVES, INHIBITORS OF THE ENZYME SOAT-1, AND PHARMACEUTICAL AND COSMETIC COMPOSITIONS CONTAINING THEM GALDERMA RESEARCH & DEVELOPMENT (FR) 2009-03-12 WO claimed