SCHEMBL9118546

SCHEMBL9118546

CCC(C)(C)c1ccc(Oc2ccc(C(F)(F)F)cc2NC(=O)Nc2ccc(OC)cc2)c(S(=O)(=O)O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RAF1 P04049 10/20 0.52
MAPT P10636 3/20 0.51
KDM4E B2RXH2 1/20 0.51
BRAF P15056 1/20 0.49
MAPK1 P28482 2/20 0.48
KDR P35968 1/20 0.47
PTGES O14684 1/20 0.46
ALOX5 P09917 1/20 0.46
P2RY1 P47900 1/20 0.45
MEN1 O00255 1/20 0.44
TP53 P04637 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL9117246 0.91 RAF1 (0.52) RAF1BRAFPTGESALOX5P2RY1
SCHEMBL9118064 0.90 PTGES (0.50) RAF1MAPTBRAFMAPK1PTGES
SCHEMBL8433479 0.89 PTGES (0.49) RAF1MAPTKDM4EBRAFPTGES
SCHEMBL8432579 0.87 PTGES (0.58) MAPTMAPK1KDRPTGESALOX5
SCHEMBL8432745 0.85 PTGES (0.48) BRAFKDRPTGESALOX5
SCHEMBL9117910 0.82 PTGES (0.46) MAPTKDRPTGESALOX5P2RY1
SCHEMBL9289620 0.81 PTGES (0.49) RAF1MAPTKDM4EPTGESALOX5
SCHEMBL5719998 0.81 CA12 (0.47) RAF1MAPTPTGESALOX5MEN1
SCHEMBL9117651 0.81 HTT (0.56) MAPTKDM4EMAPK1MEN1TP53
SCHEMBL9116337 0.80 P2RY1 (0.45) MAPTP2RY1MEN1GAAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995033458-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO claimed
WO-1995033458-A1 ANTI-INFLAMMATORY COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 1995-12-14 WO disclosed