SCHEMBL4883359

SCHEMBL4883359

C=COC(=O)CC1CCCCC(=O)N1C=C

nearest known ligand 0.31

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.30
MEN1 O00255 1/20 0.30
ALDH1A1 P00352 1/20 0.30
KMT2A Q03164 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
SCHEMBL867620 0.73 ALDH1A1 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL5164167 0.70 PSEN1 (0.35) MEN1ALDH1A1KMT2A
SCHEMBL607588 0.70 L3MBTL1 (0.39) ALDH1A1KMT2A
SCHEMBL5875880 0.69
SCHEMBL1996672 0.69 EPHX1 (0.41) ALDH1A1KMT2A
SCHEMBL6568033 0.68 NOS1 (0.37) ALDH1A1
SCHEMBL152534 0.67 ALDH1A1 (0.36) MEN1ALDH1A1KMT2A
SCHEMBL4431996 0.67 L3MBTL1 (0.39) ALDH1A1KMT2A
SCHEMBL27615578 0.66
SCHEMBL1226609 0.66 TSHR (0.54) CYP2D6MEN1ALDH1A1KMT2A

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
US-20080255326-A1 Process For Preparing Graft Polymers BASF SE (DE) 2008-10-16 US disclosed