SCHEMBL67698

SCHEMBL67698

CC(C)(C)CN(C(=O)O)c1cccc(Br)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.41
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HTR1A P08908 2/20 0.36
CTSK P43235 1/20 0.35
TSHR P16473 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
CLK1 P49759 1/20 0.34
HTR7 P34969 2/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
DRD2 P14416 1/20 0.33
HTR2A P28223 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.33
GRM5 P41594 1/20 0.33
LMNA P02545 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
SCHEMBL69183 0.77 CLK1 (0.36) POLBALDH1A1HPGDHTR1ATSHR
SCHEMBL1400663 0.76 CLK1 (0.40) POLBALDH1A1HPGDHTR1ATSHR
SCHEMBL12987971 0.75 ALDH1A1 (0.39) POLBALDH1A1HPGDHTR1ATSHR
SCHEMBL12541476 0.75 ALDH1A1 (0.44) POLBALDH1A1CTSKTSHRSMN1; SMN2
SCHEMBL27789848 0.74 CLK1 (0.37) ALDH1A1HPGDHTR1ATSHRCLK1
SCHEMBL24323574 0.74 HTR7 (0.41) HTR1ACTSKCLK1HTR7DRD2
SCHEMBL3511520 0.74 FAAH (0.36) ALDH1A1HPGDMEN1KMT2AGRM5
SCHEMBL67116 0.73 MTNR1A (0.45) ALDH1A1TSHRSMN1; SMN2MEN1KMT2A
SCHEMBL30500249 0.73 POLB (0.38) POLBALDH1A1TSHRSMN1; SMN2MAPK1
SCHEMBL28525227 0.73 POLB (0.38) POLBALDH1A1TSHRSMN1; SMN2MAPK1

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-1814871-B1 COMPOUNDS THAT MODULATE PPARY TYPE RECEPTORS, AND USE THEREOF IN COSMETIC OR PHARMACEUTICAL COMPOSITIONS GALDERMA RES & DEV (FR) 2011-03-02 EP disclosed