SCHEMBL8549301

SCHEMBL8549301

Cc1ccccc1-c1nc(C(F)(F)F)oc1-c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.52
RXRB P28702 2/20 0.52
RXRG P48443 1/20 0.52
NPC1 O15118 3/20 0.43
ALDH1A1 P00352 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HPGD P15428 1/20 0.43
TSHR P16473 1/20 0.43
HTT P42858 1/20 0.42
ELANE P08246 3/20 0.40
NR4A2 P43354 2/20 0.40
MAPK13 O15264 1/20 0.40
MAPK12 P53778 1/20 0.40
MAPK11 Q15759 1/20 0.40
MAPK14 Q16539 1/20 0.40
DPP4 P27487 1/20 0.38
MAPT P10636 2/20 0.38
ENPP3 O14638 1/20 0.38
ENPP1 P22413 1/20 0.38

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
SCHEMBL8146420 0.82 NR4A2 (0.55) RXRARXRBRXRGNPC1ALDH1A1
SCHEMBL8151850 0.81 RXRA (0.51) RXRARXRBRXRGNPC1ALDH1A1
SCHEMBL8140604 0.81 RXRA (0.51) RXRARXRBRXRGNPC1ALDH1A1
SCHEMBL31194854 0.80 MAPK13 (0.61) RXRARXRBRXRGNPC1ALDH1A1
SCHEMBL8154083 0.79 PTGS2 (0.42)
SCHEMBL8560253 0.77 F10 (0.37) ELANENR4A2
SCHEMBL8148454 0.75 RXRA (0.51) RXRARXRBRXRGELANENR4A2
SCHEMBL8148481 0.74 NOX1 (0.45) RXRARXRBRXRGALDH1A1NR4A2
SCHEMBL7504769 0.72 PTGS2 (0.67)
SCHEMBL7502654 0.72 PTGS2 (0.67)

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-0825989-A1 SUBSTITUTED OXAZOLES FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1998-03-04 EP disclosed