SCHEMBL15501043

SCHEMBL15501043

NN(CCCCCC(=O)NCCOCCOCCCCCCCl)C(=O)c1ccc(C(=O)O)c(-c2c3ccc(=O)cc-3oc3cc(O)ccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALB P02768 2/20 0.50
ESR1 P03372 1/20 0.49
HTRA2 O43464 7/20 0.46
HTRA1 Q92743 7/20 0.46
FOLH1 Q04609 2/20 0.46
DNASE1L3 Q13609 1/20 0.44
PRMT1 Q99873 1/20 0.44
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
CA9 Q16790 2/20 0.44
USP2 O75604 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43

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
SCHEMBL4403238 0.90 ALB (0.58) ALBESR1HTRA2HTRA1FOLH1
SCHEMBL23291875 0.86 FOLH1 (0.54) ALBESR1HTRA2HTRA1FOLH1
SCHEMBL14524697 0.85 FOLH1 (0.59) ALBESR1HTRA2HTRA1FOLH1
SCHEMBL4401348 0.85 FOLH1 (0.59) ALBESR1HTRA2HTRA1FOLH1
SCHEMBL4401282 0.81 FOLH1 (0.60) ALBESR1FOLH1CA12CA1
SCHEMBL15501046 0.80 FOLH1 (0.59) ALBESR1HTRA2HTRA1FOLH1
SCHEMBL9965269 0.77 FOLH1 (0.52) ALBESR1HTRA2HTRA1FOLH1
SCHEMBL8521611 0.75 FOLH1 (0.49) ALBESR1HTRA2HTRA1FOLH1
SCHEMBL18950709 0.75 ESR1 (0.43) ALBESR1HTRA2HTRA1FOLH1
SCHEMBL12262226 0.75 ESR1 (0.53) ALBESR1HTRA2HTRA1FOLH1

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-2369006-B1 Covalent tethering of functional groups to proteins PROMEGA CORP (US) 2014-03-12 EP disclosed