SCHEMBL382994

SCHEMBL382994

CCOC(=O)c1ccc(-c2ccc(OCCCCO[Si](C)(C)C(C)(C)C)cc2)cc1-c1ccc(N(CC)C(C)=O)c(C(C)(C)C)c1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RARA P10276 12/20 0.51
RARB P10826 12/20 0.51
RARG P13631 12/20 0.51
HSD17B10 Q99714 2/20 0.35
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
RAB9A P51151 1/20 0.35
DHFR P00374 1/20 0.32
KCNH2 Q12809 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL382090 0.90 RARA (0.48) RARARARBRARGHSD17B10NPC1
SCHEMBL381882 0.86 RARG (0.66) RARARARBRARG
SCHEMBL382380 0.80 RARB (0.42) RARARARBRARGHSD17B10NPC1
SCHEMBL383525 0.80 RARG (0.62) RARARARBRARGHSD17B10NPC1
SCHEMBL4576213 0.79 RARA (0.49) RARARARBRARGHSD17B10KDM4E
SCHEMBL380874 0.77 RARA (0.51) RARARARBRARGHSD17B10NPC1
SCHEMBL382839 0.77 RARG (0.44) RARARARBRARGKDM4ESMN1; SMN2
SCHEMBL382766 0.76 RARG (0.65) RARARARBRARG
SCHEMBL4577375 0.76 RARB (0.51) RARARARBRARGNPC1RAB9A
SCHEMBL3439183 0.75 RARG (0.63) RARARARBRARGDHFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831149-B1 NOVEL LIGANDS THAT MODULATE RAR RECEPTORS AND USE THEREOF IN HUMAN MEDICINE AND IN COSMETICS GALDERMA RES & DEV (FR) 2012-01-25 EP disclosed