SCHEMBL2479659

SCHEMBL2479659

C=CCON(CCC)OCC=C

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TSHR P16473 4/20 0.36
ALDH1A1 P00352 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
SCHEMBL10402425 0.76
SCHEMBL3031019 0.73 MEN1 (0.35) MEN1POLBKMT2ATSHRALDH1A1
SCHEMBL10702708 0.73 MEN1 (0.35) MEN1POLBKMT2ATSHRALDH1A1
Butane SCHEMBL14813450 0.72 TSHR (0.38) MEN1POLBKMT2ATSHRALDH1A1
SCHEMBL8824154 0.70 MEN1 (0.33) MEN1POLBKMT2A
SCHEMBL1699822 0.69 CA1 (0.30)
SCHEMBL4590882 0.69
SCHEMBL8423765 0.69 TSHR (0.48) MEN1POLBKMT2ATSHRALDH1A1
SCHEMBL4872899 0.69 TSHR (0.48) MEN1POLBKMT2ATSHRALDH1A1
SCHEMBL20529604 0.69 TSHR (0.41) MEN1POLBKMT2ATSHRALDH1A1

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
WO-2011108955-A1 MULTI -TARGETING SYSTEM COMPRISING A NANOCARRIER, NUCLEIC ACID(S) AND NON-NUCLEIC ACID BASED DRUG(S) UNIVERSIDADE DE COIMBRA (PT) 2011-09-09 WO disclosed