SCHEMBL3848024

SCHEMBL3848024

CC(C)(Oc1ccc(CCNCCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.73
PPARA Q07869 9/20 0.66
PPARG P37231 13/20 0.61
KDM4E B2RXH2 1/20 0.61
MAPT P10636 1/20 0.61
PPARD Q03181 3/20 0.60
ALDH1A1 P00352 1/20 0.60
FABP2 P12104 1/20 0.60
SMN1; SMN2 Q16637 1/20 0.60
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55
ATM Q13315 1/20 0.55

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
SCHEMBL3840876 0.95 ADRB3 (0.67) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL12328025 0.95 ADRB3 (0.67) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL12953097 0.90 PPARG (0.71) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL2517277 0.86 PPARG (0.60) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL3841460 0.85 PPARA (0.59) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL3288292 0.85 PPARA (0.57) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL1352258 0.85 ADRB3 (1.00) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL1351960 0.85 ADRB3 (1.00) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL1352261 0.85 ADRB3 (1.00) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL11566625 0.83 PPARG (0.70) ADRB3PPARAPPARGMAPTPPARD

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-1856065-B1 1,2,4-TRIAZINE DERIVATIVES, PREPARATION AND USE THEREOF IN HUMAN THERAPY PF MEDICAMENT (FR) 2009-11-11 EP disclosed