SCHEMBL18760223

SCHEMBL18760223

O=C(O)C(CCCCNC(=O)C(CCCCNC1CCCC1)NC1CCCC1)NC(=O)C(CCCCNC1CCCCC1)NC1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ CPB2 Q96IY4 6/20 0.44
▸ EPHX2 P34913 2/20 0.44
▸ CXCR4 P61073 1/20 0.41
▸ NMT1 P30419 4/20 0.41
▸ NMT2 O60551 3/20 0.41
▸ EPHX1 P07099 1/20 0.39

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
SCHEMBL18786157 0.94 SMN1; SMN2 (0.49) SMN1; SMN2CPB2EPHX2CXCR4
SCHEMBL18760224 0.94 SMN1; SMN2 (0.49) SMN1; SMN2CPB2EPHX2CXCR4
SCHEMBL20634649 0.82 NMT1 (0.48) NMT1NMT2
SCHEMBL20633846 0.82 NMT1 (0.48) NMT1NMT2
SCHEMBL23840151 0.80 NMT1 (0.46) NMT1NMT2
SCHEMBL23840017 0.80 NMT1 (0.46) NMT1NMT2
SCHEMBL18760192 0.80 NMT1 (0.46) NMT1NMT2
SCHEMBL20634648 0.78 NMT1 (0.42) SMN1; SMN2EPHX2NMT1NMT2
SCHEMBL23840130 0.78 NMT1 (0.42) SMN1; SMN2EPHX2NMT1NMT2
SCHEMBL22054640 0.76 SMN1; SMN2 (0.45) SMN1; SMN2EPHX2CXCR4EPHX1

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-2017066349-A1 VE-CADHERIN BINDING BIOCONJUGATE SYMIC IP, LLC (US) 2017-04-20 — — WO disclosed
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