SCHEMBL8795589

SCHEMBL8795589

CC1(C)C=C(c2cnccc2Cl)c2cc(OC(F)(F)F)ccc2O1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE2A O00408 2/20 0.42
ABL1 P00519 3/20 0.36
PDE10A Q9Y233 2/20 0.36
PSEN1 P49768 1/20 0.35
PSEN2 P49810 1/20 0.35
APH1B Q8WW43 1/20 0.35
NCSTN Q92542 1/20 0.35
APH1A Q96BI3 1/20 0.35
PSENEN Q9NZ42 1/20 0.35
CYP3A4 P08684 2/20 0.34
PDE7A Q13946 1/20 0.34
PDE11A Q9HCR9 1/20 0.34
CYP2D6 P10635 1/20 0.34
TRPV1 Q8NER1 1/20 0.34
FFAR4 Q5NUL3 4/20 0.33
SCN5A Q14524 2/20 0.33
KCNH2 Q12809 1/20 0.33
CACNA1C Q13936 1/20 0.33
FFAR1 O14842 2/20 0.32
PIM1 P11309 1/20 0.32

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
SCHEMBL8794555 0.84 ABL1 (0.36) PDE2AABL1PDE10APSEN1PSEN2
SCHEMBL8795654 0.83 ABL1 (0.46) ABL1PSEN1PSEN2APH1BNCSTN
SCHEMBL8794852 0.81 CYP11B1 (0.43) ABL1SCN5AKCNH2CHRM5
SCHEMBL8795032 0.80 PSEN1 (0.36) PDE2AABL1PSEN1PSEN2APH1B
SCHEMBL8795627 0.78 CHRM5 (0.44) ABL1PSEN1PSEN2APH1BNCSTN
SCHEMBL9381836 0.76 PSEN1 (0.36) ABL1PSEN1PSEN2APH1BNCSTN
SCHEMBL8794576 0.76 CBFB (0.43) ABL1PSEN1PSEN2APH1BNCSTN
SCHEMBL8795372 0.74 PSEN1 (0.36) ABL1PSEN1PSEN2APH1BNCSTN
SCHEMBL8794971 0.74 PSEN1 (0.35) ABL1PSEN1PSEN2APH1BNCSTN
SCHEMBL8794656 0.72 TRPA1 (0.47) ABL1PDE10APSEN1PSEN2APH1B

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