SCHEMBL9003013

SCHEMBL9003013

C=CCOCC=C.C=CCOCCCO

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
CA1 P00915 2/20 0.35
CA2 P00918 2/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 4/20 0.32
MAPK1 P28482 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
SCHEMBL272770 0.97
Hydrogen Sulfide SCHEMBL28098144 0.95
SCHEMBL28135308 0.95
SCHEMBL9003130 0.93 MEN1 (0.39) MEN1POLBKMT2ACA1CA2
SCHEMBL10031349 0.93 MEN1 (0.39) MEN1POLBKMT2ACA1CA2
SCHEMBL31677431 0.93 MEN1 (0.39) MEN1POLBKMT2ACA1CA2
SCHEMBL34470391 0.91 MEN1 (0.38) MEN1POLBKMT2ACA1CA2
SCHEMBL6941611 0.91 POLB (0.38) MEN1POLBKMT2ACA1CA2
SCHEMBL31357443 0.91 MEN1 (0.38) MEN1POLBKMT2ACA1CA2
SCHEMBL31357448 0.91 MEN1 (0.38) MEN1POLBKMT2ACA1CA2

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-0462603-B1 Chlorotrifluoroethylene based copolymer suitable as paint vehicle CENTRAL GLASS CO LTD (JP) 1996-09-25 EP claimed