SCHEMBL9465697

SCHEMBL9465697

O=C(O)CCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Cl)nn2)n1

nearest known ligand 0.61

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RXRA P19793 10/20 0.61
RXRB P28702 10/20 0.61
RXRG P48443 10/20 0.61
ALOX5 P09917 6/20 0.58
PTGS2 P35354 1/20 0.47
MALT1 Q9UDY8 3/20 0.45
NR1H4 Q96RI1 1/20 0.45

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
SCHEMBL9466275 0.83 ALOX5 (0.50) RXRARXRBRXRGALOX5PTGS2
SCHEMBL9522392 0.81 RXRA (0.81) RXRARXRBRXRGALOX5PTGS2
SCHEMBL5551695 0.79 RXRA (0.78) RXRARXRBRXRGALOX5PTGS2
SCHEMBL5547124 0.79 RXRA (0.78) RXRARXRBRXRGALOX5PTGS2
SCHEMBL5393447 0.75 RXRA (0.84) RXRARXRBRXRGALOX5PTGS2
SCHEMBL6501484 0.74 PTGS2 (0.74) RXRARXRBRXRGPTGS2
SCHEMBL9466056 0.73 RXRA (0.55) RXRARXRBRXRGMALT1
SCHEMBL4009771 0.71 RXRA (0.57) RXRARXRBRXRG
SCHEMBL9466584 0.71 RXRA (0.53) RXRARXRBRXRGALOX5PTGS2
SCHEMBL14445463 0.71 RXRA (0.78) RXRARXRBRXRGALOX5PTGS2

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-5242940-A Antiinflammatory agents ORTHO PHARMACEUTICAL CORPORATION (US) 1993-09-07 US disclosed