SCHEMBL8729082

SCHEMBL8729082

CC(C)(C)c1ccccc1-c1cccc(C(=O)O)c1C(N)=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYC P01106 1/20 0.46
BCAT2 O15382 1/20 0.42
HNF4A P41235 1/20 0.40
ALDH1A1 P00352 3/20 0.39
ALOX15 P16050 2/20 0.39
MAPT P10636 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
LMNA P02545 1/20 0.39
HSD17B10 Q99714 1/20 0.39
KEAP1 Q14145 1/20 0.38
NFE2L2 Q16236 1/20 0.38
TAS2R14 Q9NYV8 1/20 0.38
FOLH1 Q04609 1/20 0.37
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
CA2 P00918 1/20 0.36
IDO1 P14902 1/20 0.36
NR4A1 P22736 1/20 0.36

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
SCHEMBL8729079 0.83 MYC (0.49) MYCBCAT2HNF4AALDH1A1ALOX15
SCHEMBL4251057 0.83 MYC (0.47) MYCHNF4AALDH1A1ALOX15MAPT
SCHEMBL5399387 0.81 HNF4A (0.59) MYCHNF4AALDH1A1ALOX15MAPT
SCHEMBL867478 0.79 MYC (0.64) MYCBCAT2HNF4AALDH1A1ALOX15
SCHEMBL29916354 0.78 BCAT2 (0.63) MYCBCAT2HNF4AALDH1A1ALOX15
SCHEMBL570758 0.78 BCAT2 (0.63) MYCBCAT2HNF4AALDH1A1ALOX15
SCHEMBL19024410 0.78 MAPT (0.43) MYCBCAT2ALDH1A1ALOX15MAPT
SCHEMBL31229322 0.78 ALOX15 (0.47) MYCALDH1A1ALOX15LMNAHSD17B10
SCHEMBL1355526 0.78 ALOX15 (0.47) MYCALDH1A1ALOX15LMNAHSD17B10
SCHEMBL11247684 0.77 GLRA3 (0.43) MYCBCAT2ALDH1A1ALOX15MAPT

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0869782-A2 METHODS OF TREATMENT WITH COMPOUNDS HAVING RAR $g(a)? RECEPTOR SPECIFIC OR SELECTIVE ACTIVITY Vision Pharmaceuticals L.P. (US) 1998-10-14 EP disclosed
WO-1997024116-A2 METHODS OF TREATMENT WITH COMPOUNDS HAVING RARα RECEPTOR SPECIFIC OR SELECTIVE ACTIVITY VISION PHARMACEUTICALS L.P. (US) 1997-07-10 WO disclosed