SCHEMBL9532189

SCHEMBL9532189

CCCCc1nc(C(F)(F)C(F)(F)F)c(C(C(=O)O)c2ccc(OCc3ccc(C(=O)O)cc3)cc2)[nH]1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 5/20 0.44
RXRB P28702 5/20 0.44
NR1H4 Q96RI1 1/20 0.40
NR4A2 P43354 4/20 0.40
NPC1 O15118 1/20 0.40
POLB P06746 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NR4A1 P22736 1/20 0.37
NR4A3 Q92570 1/20 0.37
PLA2G4B P0C869 2/20 0.37
KDM4E B2RXH2 2/20 0.36
MEN1 O00255 2/20 0.36
ALDH1A1 P00352 2/20 0.36
THRB P10828 2/20 0.36
KMT2A Q03164 2/20 0.36
SAE1 Q9UBE0 1/20 0.36
UBA2 Q9UBT2 1/20 0.36
MAPT P10636 1/20 0.36
MAPK1 P28482 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
SCHEMBL9530752 0.82 RXRA (0.45) RXRARXRBNR1H4NR4A2NPC1
SCHEMBL9531402 0.75 RXRA (0.43) RXRARXRBNR1H4NR4A2NPC1
SCHEMBL9755563 0.72 AGTR1 (0.52) RXRARXRBNR4A2
SCHEMBL1123143 0.70 RXRA (0.72) RXRARXRBNR1H4NR4A2NPC1
SCHEMBL10789890 0.67 RXRA (0.70) RXRARXRBNR4A2NPC1POLB
SCHEMBL11358158 0.66 RARB (0.68) RXRARXRBNR4A2NPC1POLB
SCHEMBL18521456 0.66 RARB (0.68) RXRARXRBNR4A2NPC1POLB
SCHEMBL18521452 0.66 RARB (0.68) RXRARXRBNR4A2NPC1POLB
SCHEMBL9372929 0.66 RXRA (0.77) RXRARXRBNR4A2NPC1POLB
SCHEMBL17112801 0.66 RXRA (0.77) RXRARXRBNR4A2NPC1POLB

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-0515548-A4 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT 1993-03-10 EP disclosed
EP-0515548-A1 IMIDAZOLE ANGIOTENSIN II ANTAGONISTS INCORPORATING A SUBSTITUTED BENZYL ELEMENT MERCK & CO. INC. (US) 1992-12-02 EP disclosed