SCHEMBL8795772

SCHEMBL8795772

CC1(C)C=C(c2ccc3ccccc3n2)c2cc(S(=O)(=O)C(F)(F)F)ccc2O1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 2/20 0.38
POLB P06746 2/20 0.37
LMNA P02545 6/20 0.35
SMN1; SMN2 Q16637 4/20 0.35
MAPT P10636 4/20 0.35
MEN1 O00255 4/20 0.35
KMT2A Q03164 4/20 0.35
NPSR1 Q6W5P4 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
HPGD P15428 2/20 0.35
HSP90AA1 P07900 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 3/20 0.34
S1PR4 O95977 1/20 0.33
XBP1 P17861 1/20 0.33
S1PR1 P21453 1/20 0.33
MC4R P32245 1/20 0.33
ESPL1 Q14674 1/20 0.33
ALDH1A1 P00352 3/20 0.33
NPC1 O15118 3/20 0.33

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
SCHEMBL8795248 0.82 PTGS2 (0.35) PTGS2POLBLMNASMN1; SMN2GAA
SCHEMBL8795149 0.82 CA12 (0.41) PTGS2POLBLMNASMN1; SMN2HTT
SCHEMBL8794882 0.79 CYP17A1 (0.39) POLBLMNASMN1; SMN2HTTESPL1
SCHEMBL9376910 0.78 ESPL1 (0.37) PTGS2POLBLMNASMN1; SMN2MEN1
SCHEMBL8794831 0.76 ESPL1 (0.37) PTGS2POLBLMNASMN1; SMN2MEN1
SCHEMBL8795494 0.76 PTGS2 (0.35) PTGS2POLBLMNASMN1; SMN2HTT
SCHEMBL8794918 0.75 ESPL1 (0.36) POLBLMNASMN1; SMN2MEN1KMT2A
SCHEMBL8793951 0.75 PTGS2 (0.39) PTGS2ESPL1ALDH1A1PTGS1
SCHEMBL8795157 0.75 ABCC9 (0.44) LMNAESPL1ALDH1A1
SCHEMBL8795212 0.74 PTGS2 (0.37) PTGS2POLBLMNASMN1; SMN2HTT

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 3 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 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