SCHEMBL20125506

SCHEMBL20125506

CCC(CN(CC)CC)C(C)C

nearest known ligand 0.32

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PLA2G1B P04054 1/20 0.32
PLA2G2A P14555 1/20 0.32

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
SCHEMBL21120634 0.85 PLA2G1B (0.32) PLA2G1BPLA2G2A
SCHEMBL28219328 0.76 TSHR (0.32) PLA2G1BPLA2G2A
SCHEMBL19004727 0.76
SCHEMBL24850079 0.74 ALDH1A1 (0.30)
SCHEMBL19214836 0.74
SCHEMBL83374 0.71
SCHEMBL5948506 0.71 PLA2G1B (0.34) PLA2G1BPLA2G2A
SCHEMBL441478 0.71 PLA2G1B (0.34) PLA2G1BPLA2G2A
SCHEMBL9407523 0.69 PLA2G1B (0.37) PLA2G1BPLA2G2A
SCHEMBL806005 0.69

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-3119900-B1 METHOD FOR OBTAINING NONRIBOSOMAL PEPTIDES BY HETEROLOGOUS EXPRESSION OF AT LEAST ONE NONRIBOSOMAL PEPTIDE SYNTHETASE IN ASPERGILLUS NIGER UNIV BERLIN TECH (DE) 2018-05-09 EP disclosed