SCHEMBL7861366

SCHEMBL7861366

COCOc1ccc(CCO[C]=O)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.38
NR3C1 P04150 1/20 0.38
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
CYP2D6 P10635 1/20 0.38
ADRA1A P35348 1/20 0.38
CYP2J2 P51589 1/20 0.38
PDE4D Q08499 1/20 0.38
FFAR1 O14842 2/20 0.37
LMNA P02545 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ENPP2 Q13822 1/20 0.37
NPY1R P25929 1/20 0.35
NPY2R P49146 1/20 0.35
PMP22 Q01453 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 1/20 0.34
KCNH2 Q12809 2/20 0.34

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
SCHEMBL9306727 0.83 APP (0.40) FFAR1ALDH1A1NPC1RAB9A
SCHEMBL9532692 0.82 TAAR1 (0.52) NPSR1TAAR1NPC1RAB9A
SCHEMBL5535267 0.78 FFAR1 (0.61) FFAR1NPC1RAB9A
SCHEMBL7866228 0.77 FFAR1 (0.40) HRH3FFAR1LMNAL3MBTL1TAAR1
SCHEMBL7861370 0.77 LMNA (0.38) HRH3NR3C1ADRB2ADRB1CYP2D6
SCHEMBL5543890 0.75 FFAR1 (0.58) FFAR1LMNA
SCHEMBL2128463 0.74 ALDH1A1 (0.47) HRH3LMNAL3MBTL1ALDH1A1TAAR1
SCHEMBL24041839 0.73 TDP1 (0.41) HRH3NR3C1ADRB2ADRB1CYP2D6
SCHEMBL3589633 0.73 NQO1 (0.50) TDP1
SCHEMBL7866230 0.73 CYP4F2 (0.47) HRH3FFAR1LMNATDP1ALDH1A1

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
EP-0623608-B1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LTD (JP) 2001-05-30 EP disclosed
EP-0623608-A1 BENZOPYRAN DERIVATIVE, PRODUCTION THEREOF, AND PHARMACEUTICAL PREPARATION CONTAINING THE SAME AS ACTIVE INGREDIENT TEIJIN LIMITED (JP) 1994-11-09 EP disclosed