SCHEMBL10840639

SCHEMBL10840639

CC(C)CCCCCCN(CCCCCCC(C)C)C(=O)c1cnccn1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.41
NAPRT Q6XQN6 1/20 0.40
HCAR2 Q8TDS4 1/20 0.40
PSMB11 A5LHX3 5/20 0.39
PSMA7 O14818 5/20 0.39
PSMB1 P20618 5/20 0.39
PSMA1 P25786 5/20 0.39
PSMA2 P25787 5/20 0.39
PSMA3 P25788 5/20 0.39
PSMA4 P25789 5/20 0.39
PSMB8 P28062 5/20 0.39
PSMB9 P28065 5/20 0.39
PSMA5 P28066 5/20 0.39
PSMB4 P28070 5/20 0.39
PSMB6 P28072 5/20 0.39
PSMB5 P28074 5/20 0.39
PSMB10 P40306 5/20 0.39
PSMB3 P49720 5/20 0.39
PSMB2 P49721 5/20 0.39
PSMA6 P60900 5/20 0.39

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
SCHEMBL368928 0.82 KDM4E (0.55) KDM4ENAPRTHCAR2LONP1ADORA3
SCHEMBL18131023 0.76 KDM4E (0.50) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL2570916 0.74 ALDH1A1 (0.54) KDM4ENAPRTHCAR2ADORA3TSHR
SCHEMBL31086825 0.74 KDM4E (0.45) KDM4ENAPRTHCAR2PSMB5ADORA3
SCHEMBL12883064 0.73 KDM4E (0.70) KDM4EPSMB11PSMA7PSMB1PSMA1
SCHEMBL10840340 0.73 KDM4E (0.45) KDM4ENAPRTHCAR2LONP1ADORA3
SCHEMBL25146755 0.71 KDM4E (0.68) KDM4EPSMB11PSMA7PSMB1PSMA1
SCHEMBL18131003 0.69 ALDH1A1 (0.43) KDM4ENAPRTHCAR2PSMB11PSMA7
SCHEMBL15452693 0.69 PDK1 (0.48) KDM4EAPOBEC3AAPOBEC3GALDH1A1SMN1; SMN2
SCHEMBL8509785 0.69 KDM4E (0.53) KDM4ENAPRTHCAR2PSMB11PSMA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0112617-B1 PROCESS FOR THE EXTRACTION OF METAL VALUES AND NOVEL METAL EXTRACTANTS IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1986-12-30 EP disclosed
US-4581220-A CURED RESIDUE OF ZIRCONIUM SOLUTION IMPERIAL CHEMICAL INDUSTRIES, PLC (GB) 1986-04-08 US disclosed
US-4576815-A Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES LIMITED (GB) 1986-03-18 US disclosed
EP-0112617-A1 Process for the extraction of metal values and novel metal extractants IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1984-07-04 EP disclosed