SCHEMBL9507134

SCHEMBL9507134

CCN(CCN(CCN(CC(=O)NCC(O)CO)CC(C(=O)O)C(=O)O)CC(=O)O)CC(=O)NCC(O)CO

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
CYP2C19 P33261 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
KDM4E B2RXH2 1/20 0.34
CHRM2 P08172 1/20 0.34
ADRA2A P08913 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
DRD1 P21728 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
BLM P54132 1/20 0.34
PMP22 Q01453 1/20 0.34
SLC6A3 Q01959 1/20 0.34
HRH3 Q9Y5N1 1/20 0.34
CA1 P00915 8/20 0.32
CA2 P00918 8/20 0.32
CA4 P22748 5/20 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
SCHEMBL10787292 0.95 LMNA (0.34) LMNACYP2C19HIF1A
SCHEMBL9751759 0.92 TDP1 (0.40) LMNACYP2C19TDP1KDM4ECHRM2
Bicarbonate SCHEMBL9507150 0.91 TDP1 (0.39) LMNACYP2C19TDP1KDM4ECHRM2
SCHEMBL10781680 0.89 TDP1 (0.33) LMNACYP2C19TDP1KDM4ECHRM2
SCHEMBL8537359 0.84 TDP1 (0.50) LMNACYP2C19TDP1KDM4ECHRM2
SCHEMBL7775741 0.84 TDP1 (0.50) LMNACYP2C19TDP1KDM4ECHRM2
SCHEMBL7778729 0.82 TDP1 (0.48) LMNACYP2C19TDP1KDM4ECHRM2
SCHEMBL7204943 0.81 TDP1 (0.33) LMNACYP2C19TDP1KDM4ECHRM2
SCHEMBL7204610 0.81 TDP1 (0.33) LMNACYP2C19TDP1KDM4ECHRM2
SCHEMBL29624048 0.81 TDP1 (0.52) LMNACYP2C19TDP1KDM4ECHRM2

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-0436579-B1 CHELATE COMPOSITIONS NYCOMED SALUTAR, INC. (US) 1993-08-04 EP claimed
EP-0130934-B1 COMPLEXING AGENTS, COMPLEXES AND COMPLEX SALTS SCHERING AKTIENGESELLSCHAFT (DE) 1987-08-05 EP claimed