SCHEMBL5351865

SCHEMBL5351865

NCCN(CCNCC(=O)O)CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BLM P54132 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
PMP22 Q01453 2/20 0.45
LMNA P02545 2/20 0.45
TSHR P16473 2/20 0.45
KDM4E B2RXH2 1/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
ALOX15 P16050 1/20 0.45
DRD1 P21728 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
CYP2C19 P33261 1/20 0.45
ADRA1A P35348 1/20 0.45
DRD3 P35462 1/20 0.45
SLC6A3 Q01959 1/20 0.45
HRH3 Q9Y5N1 1/20 0.45
EYA2 O00167 1/20 0.41
APP P05067 1/20 0.41
ACE P12821 1/20 0.41

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
SCHEMBL22649352 0.98 TDP1 (0.48) BLMTDP1PMP22LMNATSHR
SCHEMBL13978591 0.98 TDP1 (0.48) BLMTDP1PMP22LMNATSHR
SCHEMBL8959877 0.96 TDP1 (0.42) BLMTDP1PMP22LMNATSHR
Ethylenediamine SCHEMBL7966050 0.91 TDP1 (0.48) BLMTDP1PMP22LMNATSHR
Ethylenediamine SCHEMBL7592869 0.91 TDP1 (0.48) BLMTDP1PMP22LMNATSHR
SCHEMBL10060617 0.90 MAOA (0.35) BLMTDP1PMP22LMNATSHR
SCHEMBL7587742 0.90 TDP1 (0.54) BLMTDP1PMP22LMNATSHR
SCHEMBL29223253 0.89 BLM (0.42) BLMTDP1PMP22LMNATSHR
SCHEMBL29356854 0.89 TDP1 (0.34) BLMTDP1PMP22LMNATSHR
SCHEMBL22053950 0.88 TDP1 (0.58) BLMTDP1PMP22LMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3983020-B1 AGENTS FOR CLEAVING LABELS FROM BIOMOLECULES IN VIVO TAGWORKS PHARMACEUTICALS B V (NL) 2024-06-26 EP disclosed
US-7291692-B2 Polyarylene oxide and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-11-06 US disclosed
US-20050096452-A1 Polyarylene oxide and method of producing the same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2005-05-05 US disclosed