SCHEMBL6224587

SCHEMBL6224587

CC(C)(C)OC(=O)N1CCC(C)(C)c2cc([C@@]3(C)C[C@@H]3CO)ccc21

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.47
PDE4A P27815 5/20 0.35
PDE4B Q07343 5/20 0.35
PDE4C Q08493 5/20 0.35
PDE4D Q08499 5/20 0.35
RARA P10276 4/20 0.34
RARB P10826 4/20 0.34
GNRHR P30968 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
CYP2C9 P11712 1/20 0.34
NAMPT P43490 1/20 0.34
RXRA P19793 3/20 0.33
RXRB P28702 3/20 0.33
RXRG P48443 3/20 0.33
RARG P13631 1/20 0.33
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
PPARG P37231 1/20 0.33
ESR2 Q92731 1/20 0.33
CHRM4 P08173 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
SCHEMBL7023001 1.00 KDM1A (0.47) KDM1APDE4APDE4BPDE4CPDE4D
SCHEMBL7025785 1.00 KDM1A (0.47) KDM1APDE4APDE4BPDE4CPDE4D
SCHEMBL7022663 0.85 RARB (0.39) RARARARBRXRARXRBRXRG
SCHEMBL6224084 0.85 RARB (0.39) RARARARBRXRARXRBRXRG
SCHEMBL6224309 0.84 KDM1A (0.47) KDM1APDE4APDE4BPDE4CPDE4D
SCHEMBL6223471 0.77 RXRA (0.63) KDM1ARARARARBRXRARXRB
SCHEMBL21750795 0.77 KDM1A (0.53) KDM1ARARARARBRARGESR2
SCHEMBL15616678 0.77 KDM1A (0.50) KDM1APDE4APDE4BPDE4CPDE4D
SCHEMBL6225050 0.77 KDM1A (0.50) KDM1AESR2
SCHEMBL6221173 0.76 RXRA (0.39) RARARARBRXRARXRBRXRG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1354878-B1 Tetrahydroquinoline derivatives having selective activity for retinoid x receptors ALLERGAN INC (US) 2005-11-23 EP disclosed
EP-1354878-A2 Tetrahydroquinoline derivatives having selective activity for retinoid x receptors Allergan, Inc. (US) 2003-10-22 EP disclosed
EP-1117648-B1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS ALLERGAN INC (US) 2003-08-06 EP disclosed
EP-1117648-A1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS Allergan Sales, Inc. (US) 2001-07-25 EP disclosed
WO-2000020397-A1 TETRAHYDROQUINOLINE DERIVATIVES HAVING SELECTIVE ACTIVITY FOR RETINOID X RECEPTORS ALLERGAN SALES, INC. (US) 2000-04-13 WO disclosed
US-6048873-A SKIN DISORDERS ALLERGAN SALES, INC. (US) 2000-04-11 US disclosed