SCHEMBL27410309

SCHEMBL27410309

C=CCC=C(C#N)C(=O)OC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.40
ADORA2B P29275 1/20 0.40
ADORA1 P30542 1/20 0.40
POLB P06746 1/20 0.38
APP P05067 2/20 0.38
KDM4E B2RXH2 8/20 0.37
ALDH1A1 P00352 6/20 0.36
MAPT P10636 5/20 0.36
KMT2A Q03164 4/20 0.36
LMNA P02545 3/20 0.36
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MEN1 O00255 2/20 0.36
TNNI3 P19429 1/20 0.36
CRHBP P24387 1/20 0.36
TNNT2 P45379 1/20 0.36
KLK7 P49862 1/20 0.36
TNNC1 P63316 1/20 0.36

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
SCHEMBL541315 0.82 CYP2C9 (0.56) POLBKDM4EALDH1A1MAPTKMT2A
SCHEMBL15924902 0.81 KDM4E (0.34) POLBKDM4EALDH1A1MAPTKMT2A
SCHEMBL17813318 0.80 KDM4E (0.35) KDM4EALDH1A1MAPTKMT2ALMNA
SCHEMBL2671871 0.79 CYP2C9 (0.42) ADORA2AADORA2BADORA1POLBAPP
SCHEMBL10167752 0.79 CYP2C9 (0.42) ADORA2AADORA2BADORA1POLBAPP
SCHEMBL10136090 0.79 ADORA2A (0.40) ADORA2AADORA2BADORA1POLBAPP
SCHEMBL4072774 0.79 ADORA2A (0.40) ADORA2AADORA2BADORA1POLBAPP
SCHEMBL4074959 0.77 TP53 (0.46) POLBKDM4EALDH1A1MAPTKMT2A
SCHEMBL9974660 0.77 CYP2C9 (0.41) ADORA2AADORA2BADORA1POLBAPP
SCHEMBL175409 0.76 EGFR (0.40) KDM4EALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103501714-A Interspinous process spacing device TERUMO CORP 2014-01-08 CN disclosed
CN-103068411-A Therapeutic agent for pulmonary emphysema TERUMO CORP 2013-04-24 CN disclosed
CN-1102161-C Photocurable composition THREE BOND CO LTD (JP) 2003-02-26 CN disclosed
CN-1153794-A Photocurable composition THREE BOND CO LTD (JP) 1997-07-09 CN disclosed