SCHEMBL11101302

SCHEMBL11101302

CCOC=C(C#N)C(=O)Oc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.43
MAPT P10636 6/20 0.42
ALDH1A1 P00352 5/20 0.42
KDM4E B2RXH2 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
POLB P06746 2/20 0.42
DHODH Q02127 1/20 0.41
TP53 P04637 1/20 0.41
NPC1 O15118 4/20 0.40
RAB9A P51151 4/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
ATM Q13315 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
CYP1A2 P05177 2/20 0.40
CYP2C9 P11712 2/20 0.40
HSD17B10 Q99714 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
STAT1 P42224 1/20 0.40

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
SCHEMBL20875871 0.82 MAOB (0.44) MAOBMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL1567705 0.80 MAOB (0.47) MAOBMAPTALDH1A1KDM4EPOLB
SCHEMBL1567706 0.80 MAOB (0.47) MAOBMAPTALDH1A1KDM4EPOLB
SCHEMBL2344515 0.80 MAPT (0.42) MAPTALDH1A1KDM4EL3MBTL1NPC1
SCHEMBL10716569 0.79 ALDH1A1 (0.49) MAPTALDH1A1KDM4EPOLBDHODH
SCHEMBL10716566 0.79 ALDH1A1 (0.49) MAPTALDH1A1KDM4EPOLBDHODH
SCHEMBL11110976 0.78 MAOB (0.42) MAOBMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL11110974 0.78 MAOB (0.42) MAOBMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL9362182 0.77 MAOB (0.51) MAOBMAPTALDH1A1KDM4EL3MBTL1
SCHEMBL20556083 0.76 MAPT (0.46) MAPTALDH1A1KDM4ENPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0104432-A2 Herbicide and plant growth regulator comprising alpha-beta-unsaturated compound TEIJIN LIMITED (JP) 1984-04-04 EP disclosed