SCHEMBL8550665

SCHEMBL8550665

COc1ccc(C2C(C#N)=C(NC(C)=O)OC3=C2CCc2ccccc23)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 10/20 0.49
KDM4E B2RXH2 8/20 0.49
ALDH1A1 P00352 6/20 0.49
LMNA P02545 6/20 0.49
MAPK1 P28482 2/20 0.49
SMN1; SMN2 Q16637 5/20 0.42
MEN1 O00255 4/20 0.42
KMT2A Q03164 4/20 0.42
GAA P10253 3/20 0.42
ALOX12 P18054 2/20 0.42
GLA P06280 1/20 0.42
RAB9A P51151 2/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MYB P10242 1/20 0.39
HPGD P15428 4/20 0.39
ALOX15 P16050 2/20 0.39
HTT P42858 2/20 0.39
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38

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
SCHEMBL8546898 0.85 ALDH1A1 (0.51) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8543140 0.85 ALDH1A1 (0.51) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8549109 0.85 MAPT (0.69) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8548053 0.84 ALDH1A1 (0.56) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8545602 0.84 ALDH1A1 (0.56) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8547302 0.81 MAPT (0.51) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8544742 0.81 MAPT (0.53) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8544752 0.81 ALDH1A1 (0.51) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8543247 0.80 MAPT (0.49) MAPTKDM4EALDH1A1LMNAMAPK1
SCHEMBL8541121 0.80 KDM4E (0.53) MAPTKDM4EALDH1A1LMNAMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0557075-B1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY CO ELI (GB) 1998-06-24 EP disclosed
US-5663375-A CELL PROLIFERATION ELI LILLY AND COMPANY (US) 1997-09-02 US disclosed
US-5622987-A PREVENT MIGRATION OR PROLIFERATION OF SMOOTH MUSCLE CELLS ELI LILLY AND COMPANY (US) 1997-04-22 US disclosed
US-5378717-A Therapy for diabetic complications ELI LILLY AND COMPANY (US) 1995-01-03 US disclosed
EP-0557075-A1 4H-naphtho 1,2-b pyran derivatives as antiproliferative agents LILLY INDUSTRIES LIMITED (GB) 1993-08-25 EP disclosed