SCHEMBL7718944

SCHEMBL7718944

CC(C)(C)c1cc(N(O)c2cccc(C(=O)O)c2)cc(C(C)(C)C)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.59
RXRB P28702 4/20 0.59
RXRG P48443 1/20 0.47
NR4A1 P22736 1/20 0.44
NR4A2 P43354 1/20 0.44
NR4A3 Q92570 1/20 0.44
NR1H4 Q96RI1 1/20 0.44
ALDH1A1 P00352 1/20 0.43
MAPT P10636 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
MEN1 O00255 1/20 0.41
NPC1 O15118 1/20 0.41
GAA P10253 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX15 P16050 1/20 0.40
MAPK1 P28482 1/20 0.40

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
SCHEMBL9239810 0.77 RXRB (0.49) RXRARXRBRXRGNR1H4ALDH1A1
SCHEMBL14372107 0.76 GABRA1 (0.52) RXRARXRBRXRGALDH1A1MAPT
SCHEMBL179538 0.75 RXRA (0.66) RXRARXRBRXRGNR4A1NR4A2
SCHEMBL19987946 0.73 RXRA (0.64) RXRARXRBRXRGNR4A1NR4A2
SCHEMBL28102058 0.73 CA12 (0.54) RXRARXRBNR4A1ALDH1A1MAPT
SCHEMBL7379122 0.71 RXRA (0.45) RXRARXRBNR4A1ALDH1A1MAPT
SCHEMBL222176 0.71 KMT2A (0.58) ALDH1A1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL29625195 0.71 KMT2A (0.58) ALDH1A1MAPTSMN1; SMN2MEN1NPC1
SCHEMBL17681587 0.70 CA12 (0.47) RXRARXRBNR4A1ALDH1A1MAPT
SCHEMBL501957 0.70 RXRB (0.64) RXRARXRBRXRGNR1H4MAPT

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
US-6376528-B1 SYNERGISTIC MIXTURE G. D. SEARLE & CO. 2002-04-23 US disclosed