SCHEMBL20200040

SCHEMBL20200040

CCN(CC(C)C)C(=O)CN1CCN(CC(=O)O)CCN(CC(=O)O)CCN(CC(=O)O)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.45
MDM2 Q00987 1/20 0.45
ALDH1A1 P00352 4/20 0.41
KMT2A Q03164 1/20 0.39
SIGMAR1 Q99720 1/20 0.37
HSD17B10 Q99714 1/20 0.37
S1PR1 P21453 1/20 0.36
CA12 O43570 1/20 0.35
CA1 P00915 1/20 0.35
CA2 P00918 1/20 0.35
CA9 Q16790 1/20 0.35
HTR1A P08908 1/20 0.35
SLC6A9 P48067 1/20 0.34
MAPT P10636 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
OPRD1 P41143 1/20 0.33
LMNA P02545 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL20187624 0.87 HSD17B10 (0.37) KDM4EMDM2ALDH1A1KMT2ASIGMAR1
SCHEMBL20188998 0.81 KDM4E (0.48) KDM4EMDM2ALDH1A1KMT2ASIGMAR1
SCHEMBL29834060 0.80 KDM4E (0.47) KDM4EMDM2ALDH1A1KMT2ASIGMAR1
SCHEMBL20200101 0.77 HSD17B10 (0.39) KDM4EMDM2ALDH1A1KMT2AHSD17B10
SCHEMBL20188963 0.77 NPSR1 (0.32) KDM4EMDM2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL20187511 0.76 CA1 (0.33) KDM4EMDM2ALDH1A1SIGMAR1CA12
SCHEMBL28858869 0.76 NPSR1 (0.32) KDM4EMDM2ALDH1A1KMT2ASMN1; SMN2
SCHEMBL15496587 0.75 HSD17B10 (0.44) KDM4EALDH1A1SIGMAR1HSD17B10S1PR1
SCHEMBL20200029 0.75 ALDH1A1 (0.33) KDM4EMDM2ALDH1A1KMT2ASIGMAR1
SCHEMBL29700458 0.73 KDM4E (0.53) KDM4EMDM2ALDH1A1KMT2ASIGMAR1

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-3544964-B1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING Bayer Pharma AG (DE) 2020-06-17 EP disclosed
WO-2018096082-A1 HIGH RELAXIVITY GADOLINIUM CHELATE COMPOUNDS FOR USE IN MAGNETIC RESONANCE IMAGING BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2018-05-31 WO disclosed