SCHEMBL8795248

SCHEMBL8795248

CC1(C)C=C(c2ccccn2)c2cc(S(=O)(=O)C(F)(F)F)ccc2O1

nearest known ligand 0.35

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 3/20 0.35
OXTR P30559 1/20 0.35
ESPL1 Q14674 1/20 0.35
ALDH1A1 P00352 1/20 0.35
POLB P06746 1/20 0.34
PTGS1 P23219 2/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
CBFB Q13951 1/20 0.31
IGF1R P08069 1/20 0.31
PDK2 Q15119 1/20 0.31
GAA P10253 1/20 0.31
KDM4E B2RXH2 1/20 0.31
MDM2 Q00987 1/20 0.31
CA12 O43570 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL8795494 0.85 PTGS2 (0.35) PTGS2OXTRESPL1ALDH1A1POLB
SCHEMBL9087775 0.84 ALDH1A1 (0.34) PTGS2ALDH1A1POLBPTGS1HTT
SCHEMBL8795772 0.82 PTGS2 (0.38) PTGS2ESPL1ALDH1A1POLBPTGS1
SCHEMBL8794831 0.81 ESPL1 (0.37) PTGS2ESPL1ALDH1A1POLBLMNA
SCHEMBL9376910 0.81 ESPL1 (0.37) PTGS2ESPL1ALDH1A1POLBLMNA
SCHEMBL9523928 0.81 CBFB (0.40) ALDH1A1LMNASMN1; SMN2CBFBPDK2
SCHEMBL8793951 0.80 PTGS2 (0.39) PTGS2ESPL1ALDH1A1PTGS1PDK2
SCHEMBL8795149 0.79 CA12 (0.41) PTGS2ALDH1A1POLBPTGS1LMNA
SCHEMBL8794918 0.78 ESPL1 (0.36) ESPL1ALDH1A1POLBLMNAHTT
SCHEMBL8794576 0.78 CBFB (0.43) CBFB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0586405-B1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF LILLY GMBH (DE) 1997-09-10 EP claimed
EP-0586405-B1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF LILLY GMBH (DE) 1997-09-10 EP disclosed
EP-0586405-A1 NOVEL 2H-BENZO b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS. BEIERSDORF LILLY GMBH (DE) 1994-03-16 EP disclosed
WO-1992020671-A1 NOVEL 2H-BENZO[b]PYRANE DERIVATIVES SUBSTITUTED IN THE 4 POSITION BY ARYL OR N-HETEROARYL, PROCESS FOR PRODUCING THEM AND PREPARATIONS CONTAINING THE COMPOUNDS BEIERSDORF-LILLY GMBH (DE) 1992-11-26 WO disclosed