SCHEMBL5762545

SCHEMBL5762545

CCCCCCCNC(=O)N(C)c1cccc(-c2ccc(CCC(=O)OOCC)cc2)n1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.38
NPC1 O15118 1/20 0.37
ALDH1A1 P00352 1/20 0.37
RAB9A P51151 1/20 0.37
ADRB2 P07550 2/20 0.36
ADRB1 P08588 2/20 0.36
ATM Q13315 1/20 0.35
P2RY12 Q9H244 2/20 0.34
MGLL Q99685 1/20 0.34
ADRB3 P13945 1/20 0.34
MAPK1 P28482 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
EIF4A1 P60842 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
SCHEMBL5762678 0.99 HPGD (0.39) HPGDNPC1ALDH1A1RAB9AADRB2
SCHEMBL5761854 0.96 NPC1 (0.40) HPGDNPC1ALDH1A1RAB9AATM
SCHEMBL68137 0.91 SYK (0.41) HPGDNPC1ALDH1A1RAB9AADRB2
SCHEMBL5762989 0.89 TP53 (0.37) NPC1RAB9AMEN1KMT2A
SCHEMBL67830 0.87 HPGD (0.45) HPGDNPC1ALDH1A1RAB9AADRB2
SCHEMBL5760247 0.83 CNR1 (0.37) HPGDALDH1A1MEN1KMT2A
SCHEMBL5762390 0.83 NPC1 (0.44) HPGDNPC1ALDH1A1RAB9AATM
SCHEMBL5762596 0.80 PPARG (0.37) HPGDNPC1ALDH1A1RAB9AP2RY12
SCHEMBL5761221 0.80 HPGD (0.35) HPGDNPC1ALDH1A1RAB9AADRB2
SCHEMBL5763337 0.80 ALDH1A1 (0.39) HPGDNPC1ALDH1A1RAB9AADRB2

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-1638964-A1 NOVEL COMPOUNDS THAT MODULATE PPAR-GAMMA TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS Galderma Research & Development, S.N.C. (FR) 2006-03-29 EP disclosed
WO-2004113331-A1 NOVEL COMPOUNDS THAT MODULATE PPARϜ TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RESEARCH & DEVELOPMENT, S.N.C. (FR) 2004-12-29 WO disclosed