SCHEMBL9520169

SCHEMBL9520169

OCCCc1cc(-c2ccc(Cl)cc2)n(-c2ccc(Br)cc2)n1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXRA P19793 3/20 0.56
RXRB P28702 3/20 0.56
RXRG P48443 3/20 0.56
SMPD1 P17405 2/20 0.55
MALT1 Q9UDY8 10/20 0.53
PTGS2 P35354 2/20 0.53
CA1 P00915 1/20 0.53
CA2 P00918 1/20 0.53
CA9 Q16790 1/20 0.53
ALOX5 P09917 1/20 0.49
CNR2 P34972 1/20 0.48
RPA1 P27694 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL5387633 0.84 PTGS2 (0.69) RXRARXRBRXRGMALT1PTGS2
SCHEMBL9466921 0.80 CNR2 (0.51) RXRARXRBRXRGMALT1PTGS2
SCHEMBL5416591 0.80 PTGS2 (0.60) RXRARXRBRXRGMALT1PTGS2
SCHEMBL9466275 0.77 ALOX5 (0.50) RXRARXRBRXRGMALT1PTGS2
SCHEMBL9465902 0.75 CNR2 (0.46) RXRARXRBRXRGMALT1PTGS2
SCHEMBL9466137 0.75 CNR2 (0.46) RXRARXRBRXRGMALT1PTGS2
SCHEMBL9520914 0.73 CCKAR (0.61) RXRARXRBRXRGPTGS2CA1
SCHEMBL3237716 0.73 CNR2 (0.45) RXRARXRBRXRGMALT1PTGS2
SCHEMBL9519044 0.72 PTGS2 (0.66) RXRARXRBRXRGMALT1PTGS2
SCHEMBL9520376 0.72 PTGS2 (0.66) RXRARXRBRXRGMALT1PTGS2

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248594-B1 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMA CORP (US) 1993-11-24 EP claimed
US-4826868-A 1,5-Diaryl-3-substituted pyrazoles pharmaceutical compositions and use ORTHO PHARMACEUTICAL CORPORATION (US) 1989-05-02 US claimed
EP-0248594-A2 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMACEUTICAL CORPORATION (US) 1987-12-09 EP claimed
EP-0248594-B1 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMA CORP (US) 1993-11-24 EP disclosed
US-5164381-A Cardiovascular, antiinflammatory ORTHO PHARMACEUTICAL CORPORATION (US) 1992-11-17 US disclosed
US-4826868-A 1,5-Diaryl-3-substituted pyrazoles pharmaceutical compositions and use ORTHO PHARMACEUTICAL CORPORATION (US) 1989-05-02 US disclosed
EP-0248594-A2 Pharmacologically active 1,5-diaryl-3-substituted-pyrazoles and method for synthesizing the same ORTHO PHARMACEUTICAL CORPORATION (US) 1987-12-09 EP disclosed