Sugi Predict

Sugi Predict / Compounds / SCHEMBL21276602

SCHEMBL21276602

SCHEMBL21276602

C1CCCCC(C2CCCCCNCCCCCC(C3CCCCCCCCC3)CC(C3CCCC3)C2)CCCC1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.47
▸ CXCR4 P61073 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ EPHX1 P07099 1/20 0.31

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
SCHEMBL22563203 0.95 ALDH1A1 (0.53) ALDH1A1CXCR4SMN1; SMN2EPHX1
SCHEMBL22011328 0.92 ALDH1A1 (0.47) ALDH1A1CXCR4SMN1; SMN2EPHX1
SCHEMBL26379576 0.90 ALDH1A1 (0.47) ALDH1A1CXCR4SMN1; SMN2EPHX1
Pyrrolidine SCHEMBL25220274 0.89 ALDH1A1 (0.60) ALDH1A1CXCR4SMN1; SMN2EPHX1
SCHEMBL23486989 0.86 ALDH1A1 (0.42) ALDH1A1CXCR4SMN1; SMN2EPHX1
SCHEMBL20847839 0.86 ALDH1A1 (0.56) ALDH1A1CXCR4SMN1; SMN2EPHX1
SCHEMBL1405367 0.86 ALDH1A1 (0.56) ALDH1A1CXCR4SMN1; SMN2EPHX1
SCHEMBL902551 0.83 ALDH1A1 (0.53) ALDH1A1CXCR4SMN1; SMN2EPHX1
SCHEMBL7542959 0.83 ALDH1A1 (0.53) ALDH1A1CXCR4SMN1; SMN2EPHX1
SCHEMBL25019222 0.82 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2

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-2451637-B1 ROBUST PACKAGING LAMINATE, METHOD FOR MANUFACTURING OF THE PACKAGING LAMINATE AND PACKAGING CONTAINER PRODUCED THEREFROM TETRA LAVAL HOLDINGS & FINANCE (CH) 2019-08-21 — — EP disclosed