SCHEMBL4655280

SCHEMBL4655280

CCCC(F)NC(=O)C(=O)NC(C)C(=O)OC

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BIRC2 Q13490 2/20 0.41
TSHR P16473 5/20 0.40
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA14 Q9ULX7 1/20 0.36
MAPT P10636 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ZDHHC7 Q9NXF8 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
HPGD P15428 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPSR1 Q6W5P4 2/20 0.33
RECQL P46063 2/20 0.32
CYP3A4 P08684 1/20 0.31
NFKB1 P19838 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
SCHEMBL4654247 0.82 FAAH (0.41) TSHRCA1MAPTALDH1A1KDM4E
SCHEMBL6016827 0.73 CA14 (0.46) BIRC2TSHRMEN1KMT2ACA14
SCHEMBL8372310 0.73 BIRC2 (0.59) BIRC2TSHRMEN1KMT2ACA1
SCHEMBL8372311 0.73 BIRC2 (0.59) BIRC2TSHRMEN1KMT2ACA1
SCHEMBL16803191 0.70 EPHX1 (0.51) BIRC2TSHRMAPTZDHHC7ALDH1A1
SCHEMBL288381 0.69
SCHEMBL28470159 0.69 CA14 (0.46) BIRC2TSHRMEN1KMT2ACA14
SCHEMBL6016721 0.69 CA14 (0.46) BIRC2TSHRMEN1KMT2ACA14
SCHEMBL11797331 0.68 CA1 (0.42) BIRC2TSHRCA1CA2CA14
SCHEMBL15479034 0.68 TSHR (0.49) BIRC2TSHRMEN1KMT2ACA1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1989180-A1 MODIFIED AMINO ACIDS Technische Universität Wien (AT) 2008-11-12 EP disclosed
WO-2007095980-A1 MODIFIED AMINO ACIDS TECHNISCHE UNIVERSITÄT WIEN (AT) 2007-08-30 WO disclosed