SCHEMBL3840876

SCHEMBL3840876

CC(C)(Oc1ccc(CCNCCCc2ccccc2)cc1)C(=O)O

nearest known ligand 0.67

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 3/20 0.67
PPARA Q07869 7/20 0.64
PPARG P37231 9/20 0.62
KDM4E B2RXH2 1/20 0.57
MAPT P10636 1/20 0.57
SIGMAR1 Q99720 1/20 0.55
ALDH1A1 P00352 1/20 0.55
FABP2 P12104 1/20 0.55
PPARD Q03181 1/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
S1PR1 P21453 2/20 0.54
S1PR3 Q99500 1/20 0.54
MEN1 O00255 1/20 0.53
KMT2A Q03164 1/20 0.53

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
SCHEMBL12328025 1.00 ADRB3 (0.67) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL3848024 0.95 ADRB3 (0.73) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL2440421 0.88 PPARA (0.66) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL12953439 0.88 PPARG (0.74) ADRB3PPARAPPARGPPARDS1PR1
SCHEMBL4576026 0.87 PPARA (0.54) ADRB3PPARAPPARGSIGMAR1S1PR1
SCHEMBL3841460 0.86 PPARA (0.59) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL12953097 0.85 PPARG (0.71) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL16144191 0.82 PPARA (0.52) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL6544080 0.82 PPARA (0.57) ADRB3PPARAPPARGKDM4EMAPT
SCHEMBL6542915 0.82 PPARA (0.57) ADRB3PPARAPPARGKDM4EMAPT

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