SCHEMBL13709232

SCHEMBL13709232

NOC(=O)CCc1ccc(COc2cccc3c2N(Cc2cccc(-c4ccncc4)c2)CCC3)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.40
RXRB P28702 4/20 0.40
RXRG P48443 3/20 0.40
PTGER4 P35408 7/20 0.40
PTGER2 P43116 7/20 0.40
HCRTR1 O43613 3/20 0.38
HCRTR2 O43614 3/20 0.38
FFAR1 O14842 2/20 0.36
AKR1B1 P15121 1/20 0.36
FFAR4 Q5NUL3 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36
CYP11B2 P19099 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.35
SYK P43405 1/20 0.34
LSS P48449 1/20 0.34

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
SCHEMBL13312413 0.91 RXRA (0.51) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709252 0.87 HTT (0.43) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709240 0.86 RXRA (0.43) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709243 0.86 RXRA (0.43) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709393 0.84 PTGER2 (0.53) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709220 0.83 RXRA (0.40) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709251 0.83 RXRA (0.45) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709242 0.79 RXRA (0.46) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13709250 0.79 RXRA (0.43) RXRARXRBRXRGPTGER4PTGER2
SCHEMBL13312425 0.78 RXRA (0.51) 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