SCHEMBL6842371

SCHEMBL6842371

CCOC(=O)C(CCCN(C=O)OC(C)(C)C)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 5/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
PTPN1 P18031 1/20 0.36
L3MBTL1 Q9Y468 6/20 0.35
MAPK1 P28482 4/20 0.35
TSHR P16473 2/20 0.35
ALDH1A1 P00352 1/20 0.35
MAPT P10636 2/20 0.34
CRHBP P24387 1/20 0.34
CRHR2 Q13324 1/20 0.34
POLB P06746 2/20 0.32
CPB2 Q96IY4 1/20 0.32
CTSK P43235 1/20 0.30

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
SCHEMBL6534837 0.98 TDP1 (0.38) TDP1MEN1KMT2APTPN1L3MBTL1
SCHEMBL6209232 0.75 ADH1C (0.36) TSHR
SCHEMBL6937746 0.74
SCHEMBL1467658 0.73 TDP1 (0.31) TDP1
SCHEMBL15726351 0.73 PTPN1 (0.51) TDP1MEN1KMT2APTPN1L3MBTL1
SCHEMBL4522063 0.72 SLC22A6 (0.39) TDP1MEN1KMT2APTPN1TSHR
SCHEMBL8703050 0.72 CA12 (0.41) L3MBTL1ALDH1A1
SCHEMBL6938492 0.72 CA14 (0.36) TDP1MEN1KMT2AALDH1A1
SCHEMBL7659602 0.72 TDP1 (0.56) TDP1MEN1KMT2APTPN1L3MBTL1
SCHEMBL11655565 0.72 TDP1 (0.56) TDP1MEN1KMT2APTPN1L3MBTL1

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
US-6759509-B1 CONJUGATES CONTAINING A TARGETING LIGAND, SUCH AS AN ANTIBODY, A THERAPEUTICALLY ACTIVE DRUG AND A BRANCHED PEPTIDE LINKER BRISTOL-MYERS SQUIBB COMPANY 2004-07-06 US disclosed