SCHEMBL8494145

SCHEMBL8494145

CCC=CCCOc1cccc2c(O)c(OC(C)C)c(=O)oc12

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 6/20 0.37
ANTXR2 P58335 1/20 0.32
MAOA P21397 1/20 0.31
CYP2A6 P11509 1/20 0.31
ADORA3 P0DMS8 2/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
LOXL2 Q9Y4K0 1/20 0.30
MEN1 O00255 1/20 0.30
MAPT P10636 1/20 0.30
HTT P42858 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL8494144 1.00 CNR2 (0.37) CNR2ANTXR2MAOACYP2A6ADORA3
SCHEMBL8496850 0.92 CNR2 (0.37) CNR2ANTXR2MAOACYP2A6ADORA3
SCHEMBL8496855 0.92 CNR2 (0.37) CNR2ANTXR2MAOACYP2A6ADORA3
SCHEMBL8494311 0.92 CNR2 (0.33) CNR2MAOAMEN1MAPTHTT
SCHEMBL8494316 0.92 CNR2 (0.33) CNR2MAOAMEN1MAPTHTT
SCHEMBL8490858 0.90 CNR2 (0.36) CNR2MAOACYP2A6ADORA3CA12
SCHEMBL8497031 0.90 CNR2 (0.37) CNR2ANTXR2MAOACYP2A6ADORA3
SCHEMBL8496682 0.89 CNR2 (0.36) CNR2MAOACYP2A6ADORA3CA12
SCHEMBL8493970 0.89 CNR2 (0.36) CNR2CYP2A6ADORA3CA12CA1
SCHEMBL8494913 0.88 ADORA3 (0.37) CNR2ANTXR2MAOAADORA3

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-0598117-B1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK & CHEMICALS (JP) 1999-06-30 EP disclosed
US-5428059-A Benzopyran derivatives and an anti-allergic agent possessing the same as the active ingredient DAINIPPON INK & CHEMICALS, INC. (JP) 1995-06-27 US disclosed
EP-0598117-A1 BENZOPYRAN DERIVATIVE AND ANTIALLERGIC AGENT CONTAINING THE SAME AS ACTIVE INGREDIENT DAINIPPON INK AND CHEMICALS, INC. (JP) 1994-05-25 EP disclosed