SCHEMBL3722540

SCHEMBL3722540

CCN(CC)c1ccc(C#CCO)cc1C(C)(C)C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 6/20 0.38
RARB P10826 6/20 0.38
RARG P13631 6/20 0.38
MELK Q14680 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35
GABRA4 P48169 1/20 0.35
GABRE P78334 1/20 0.35
GABRA6 Q16445 1/20 0.35
GABRG1 Q8N1C3 1/20 0.35
GABRG3 Q99928 1/20 0.35
GABRQ Q9UN88 1/20 0.35

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
SCHEMBL3718741 0.85 MELK (0.38) MELKGABRPGABRDGABRA1GABRB1
SCHEMBL3633710 0.77 MELK (0.39) MELKGABRPGABRDGABRA1GABRB1
SCHEMBL9532118 0.71 ALDH1A1 (0.45) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL2098385 0.70 RARA (0.39) RARARARBRARG
SCHEMBL381965 0.69 ALDH1A1 (0.41) RARARARBRARGHSP90AA1HSP90AB1
SCHEMBL381769 0.69 RARA (0.39) RARARARBRARGHSP90AA1HSP90AB1
SCHEMBL3722583 0.69 RARA (0.40) RARARARBRARGMELKGABRP
SCHEMBL1860548 0.68 RARA (0.48) RARARARBRARGHSP90AA1HSP90AB1
SCHEMBL1746302 0.67 RARB (0.52) RARBRARGMELKGABRPGABRD
SCHEMBL2098396 0.67 RARB (0.50) RARARARBRARGHSP90AA1HSP90AB1

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-2146951-A2 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS Galderma Research & Development (FR) 2010-01-27 EP disclosed
WO-2008152260-A2 NOVEL RAR RECEPTOR AGONIST LIGANDS AND USE THEREOF IN HUMAN MEDICINE AND COSMETICS GALDERMA RESEARCH & DEVELOPMENT (FR) 2008-12-18 WO disclosed