SCHEMBL13709243

SCHEMBL13709243

Cc1cccc(CN2CCCc3cccc(OCc4ccc(CCC(=O)ON)cc4)c32)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 6/20 0.43
RXRB P28702 5/20 0.43
RXRG P48443 3/20 0.43
PTGER4 P35408 5/20 0.43
PTGER2 P43116 5/20 0.43
LMNA P02545 2/20 0.43
MAPT P10636 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HTT P42858 1/20 0.43
FFAR4 Q5NUL3 1/20 0.41
PKM P14618 1/20 0.40
AKR1C3 P42330 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
THRA P10827 1/20 0.37
THRB P10828 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37

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
SCHEMBL13709251 0.92 RXRA (0.45) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13312527 0.90 RXRA (0.55) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709393 0.90 PTGER2 (0.53) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709240 0.90 RXRA (0.43) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709242 0.86 RXRA (0.46) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709232 0.86 RXRA (0.40) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709252 0.85 HTT (0.43) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL3500903 0.83 RXRA (0.49) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709250 0.82 RXRA (0.43) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13312151 0.80 RXRB (0.61) RXRARXRBRXRGPTGER4PTGER2

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-2096109-A1 CARBOXYLIC ACID DERIVATIVE Astellas Pharma Inc. (JP) 2009-09-02 EP disclosed