SCHEMBL382839

SCHEMBL382839

CCOC(=O)c1ccc(-c2ccc(OCCCCO[Si](C)(C)C(C)(C)C)c(C(C)(C)C)c2)cc1-c1ccc(N(CC)CC)cc1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RARG P13631 15/20 0.44
RARB P10826 14/20 0.44
RARA P10276 13/20 0.44
SLC6A9 P48067 1/20 0.36
MAOB P27338 1/20 0.36
GAA P10253 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MAPK1 P28482 1/20 0.35
THRA P10827 1/20 0.34
THRB P10828 1/20 0.34

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
SCHEMBL382380 0.86 RARB (0.42) RARGRARBRARAMAOBGAA
SCHEMBL381770 0.82 RARG (0.58) RARGRARBRARASLC6A9MAPT
SCHEMBL382090 0.81 RARA (0.48) RARGRARBRARA
SCHEMBL382766 0.79 RARG (0.65) RARGRARBRARA
SCHEMBL381962 0.78 RARA (0.44) RARGRARBRARATP53MAPK1
SCHEMBL3439183 0.77 RARG (0.63) RARGRARBRARA
SCHEMBL382994 0.77 RARA (0.51) RARGRARBRARASMN1; SMN2KDM4E
SCHEMBL381882 0.74 RARG (0.66) RARGRARBRARA
SCHEMBL382244 0.73 RARB (0.56) RARGRARBRARAMAOBGAA
SCHEMBL383525 0.72 RARG (0.62) RARGRARBRARA

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