SCHEMBL3722583

SCHEMBL3722583

CC(C)(C)c1cc(C#CCO)ccc1N1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RARA P10276 3/20 0.40
RARB P10826 3/20 0.40
RARG P13631 3/20 0.40
HRH3 Q9Y5N1 1/20 0.39
RBP4 P02753 4/20 0.38
GABRP O00591 1/20 0.36
GABRD O14764 1/20 0.36
GABRA1 P14867 1/20 0.36
GABRB1 P18505 1/20 0.36
GABRG2 P18507 1/20 0.36
GABRB3 P28472 1/20 0.36
GABRA5 P31644 1/20 0.36
GABRA3 P34903 1/20 0.36
GABRA2 P47869 1/20 0.36
GABRB2 P47870 1/20 0.36
GABRA4 P48169 1/20 0.36
GABRE P78334 1/20 0.36
GABRA6 Q16445 1/20 0.36
GABRG1 Q8N1C3 1/20 0.36
GABRG3 Q99928 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
SCHEMBL29149564 0.78 ALDH1A1 (0.49) HRH3LMNAALDH1A1KDM4ETDP1
SCHEMBL3718741 0.71 MELK (0.38) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL9533473 0.71 HRH3 (0.51) HRH3LMNAALDH1A1KDM4ETDP1
SCHEMBL2099433 0.69 RBP4 (0.37) RARARARBRARGRBP4ALDH1A1
SCHEMBL14200003 0.69 CYP2C9 (0.41) RARARARBRARGRBP4LMNA
SCHEMBL19937820 0.69 ALDH1A1 (0.53) RARARARBRARGRBP4ALDH1A1
SCHEMBL15726858 0.69 ALDH1A1 (0.45) RARARARBRARGRBP4ALDH1A1
SCHEMBL382856 0.69 RBP4 (0.58) RARARARBRARGRBP4LMNA
SCHEMBL382827 0.69 RBP4 (0.39) RARARARBRARGRBP4ALDH1A1
SCHEMBL3722540 0.69 RARA (0.38) RARARARBRARGGABRPGABRD

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