SCHEMBL16001973

SCHEMBL16001973

C=CCOCC(COCC=C)OC(C)=O

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 3/20 0.42
CA2 P00918 3/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.39
PRKCA P17252 2/20 0.36
TDP1 Q9NUW8 2/20 0.35
PLA2G2C Q5R387 1/20 0.35
TSHR P16473 2/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
HRH1 P35367 1/20 0.34
KMT2A Q03164 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
CA4 P22748 1/20 0.33

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
SCHEMBL1830477 0.93 TDP1 (0.41) CA1CA2CA7CA9PRKCA
SCHEMBL13449717 0.93 CA1 (0.38) CA1CA2CA7CA9PRKCA
SCHEMBL10956519 0.93 TDP1 (0.41) CA1CA2CA7CA9PRKCA
SCHEMBL5495059 0.91 PRKCA (0.46) CA1CA2CA7CA9PRKCA
SCHEMBL19093002 0.91 CA1 (0.39) CA1CA2CA7CA9PRKCA
SCHEMBL640917 0.91 PRKCA (0.46) CA1CA2CA7CA9PRKCA
Acetaldehyde SCHEMBL11121419 0.88 TDP1 (0.38) CA1CA2CA7PRKCATDP1
SCHEMBL11325655 0.88 PLA2G2C (0.40) CA1CA2CA7CA9PRKCA
SCHEMBL29050426 0.87 PGD (0.49) SMN1; SMN2
SCHEMBL20680903 0.86 MEN1 (0.50) CA1CA2CA7CA9TSHR

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
US-9617361-B2 Conductive member for electrophotographic image forming apparatus SUMITOMO RIKO COMPANY LIMITED (JP) 2017-04-11 US disclosed
US-20140248067-A1 MODIFIED POLYMER BODY TOKAI RUBBER INDUSTRIES, LTD. (JP) 2014-09-04 US disclosed