SCHEMBL5206439

SCHEMBL5206439

CC(C)(C)N(C(=O)O)C(C)(C)c1cccc(Oc2cc(Cl)ccc2N)c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.41
PPARG P37231 6/20 0.39
MRGPRX4 Q96LA9 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
PKM P14618 1/20 0.39
LMNA P02545 2/20 0.35
HTR2A P28223 1/20 0.34
SLC6A4 P31645 1/20 0.34
KCNH2 Q12809 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
P2RX4 Q99571 1/20 0.34
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
TBXA2R P21731 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
SCHEMBL5202456 0.83 TDP1 (0.42) PPARGMRGPRX4PKMLMNAMAPT
SCHEMBL5202463 0.83 TDP1 (0.42) PPARGMRGPRX4PKMLMNAMAPT
SCHEMBL5206343 0.80 L3MBTL1 (0.43) L3MBTL1PPARGMRGPRX4CYP1A2CYP3A4
SCHEMBL6177342 0.80 L3MBTL1 (0.45) L3MBTL1PPARGMRGPRX4CYP1A2CYP3A4
SCHEMBL6177713 0.78 L3MBTL1 (0.43) L3MBTL1PPARGMRGPRX4CYP1A2CYP3A4
SCHEMBL5206121 0.77 MEN1 (0.41) L3MBTL1PPARGMRGPRX4CYP1A2CYP3A4
SCHEMBL5206332 0.76 ALOX5 (0.44) L3MBTL1PPARGMRGPRX4CYP1A2CYP3A4
SCHEMBL2398857 0.70 CYP3A4 (0.73) L3MBTL1CYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL5206336 0.69 L3MBTL1 (0.41) L3MBTL1PPARGMRGPRX4CYP1A2CYP3A4
SCHEMBL6178518 0.68 PTGER4 (0.50) L3MBTL1MRGPRX4CYP1A2CYP3A4CYP2C9

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
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed