SCHEMBL15096043

SCHEMBL15096043

C=CCOCC(C)(COCC)COCC

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
POLB P06746 1/20 0.38
KMT2A Q03164 1/20 0.38
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30
ALDH1A1 P00352 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
SCHEMBL826570 0.91 MEN1 (0.38) MEN1POLBKMT2ACA1CA2
SCHEMBL21028770 0.84 MEN1 (0.39) MEN1POLBKMT2ACA1CA2
SCHEMBL9387822 0.84 MEN1 (0.39) MEN1POLBKMT2ACA1CA2
SCHEMBL20202300 0.82 MEN1 (0.33) MEN1POLBKMT2ACA1CA2
SCHEMBL4986973 0.80 ALDH1A1 (0.33) ALDH1A1
SCHEMBL272880 0.77 CA1 (0.33) MEN1POLBKMT2ACA1CA2
SCHEMBL272889 0.77 CA1 (0.33) MEN1POLBKMT2ACA1CA2
SCHEMBL43219 0.77
SCHEMBL9624599 0.77 ALDH1A1 (0.31) MEN1POLBKMT2AALDH1A1
SCHEMBL301217 0.77 MEN1 (0.34) 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-1791876-B1 Optical elements OPHTHONIX INC (US) 2013-07-10 EP disclosed