SCHEMBL8302475

SCHEMBL8302475

COc1ccc(C2=C(c3ccc(S(=O)O)cc3)CN(c3cccc(F)c3)C2=O)cc1

nearest known ligand 0.71

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 16/20 0.71
PTGS2 P35354 14/20 0.71
POLB P06746 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
HTR2C P28335 1/20 0.38
HTR2B P41595 1/20 0.38
P2RX7 Q99572 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
SCHEMBL8289148 0.87 PTGS1 (0.67) PTGS1PTGS2POLBTDP1HTR2C
SCHEMBL14516244 0.87 PTGS1 (0.79) PTGS1PTGS2
SCHEMBL14497487 0.86 PTGS1 (0.77) PTGS1PTGS2POLBTDP1
SCHEMBL8296495 0.80 PTGS1 (0.64) PTGS1PTGS2
SCHEMBL14516168 0.75 PTGS1 (0.80) PTGS1PTGS2
SCHEMBL14516618 0.75 PTGS1 (0.76) PTGS1PTGS2
SCHEMBL8287007 0.75 PTGS1 (0.65) PTGS1PTGS2POLB
SCHEMBL8295867 0.75 PTGS1 (0.66) PTGS1PTGS2
SCHEMBL8289158 0.74 PTGS1 (0.64) PTGS1PTGS2POLBTDP1
SCHEMBL14497495 0.73 PTGS1 (0.76) PTGS1PTGS2POLB

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
WO-2004105699-A2 COMPOSITIONS OF A CYCLOOXYGENASE-2 SELECTIVE INHIBITOR AND A CANNABINOID AGENT FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DAMAGE PHARMACIA CORPORATION (US) 2004-12-09 WO disclosed