SCHEMBL6947280

SCHEMBL6947280

CN(C)CCCN[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.48
NPC1 O15118 1/20 0.48
TSHR P16473 1/20 0.39
PAOX Q6QHF9 1/20 0.39
SUCNR1 Q9BXA5 1/20 0.38
KDM4A O75164 9/20 0.38
KDM4C Q9H3R0 9/20 0.38
KDM5A P29375 1/20 0.38
KDM7A Q6ZMT4 1/20 0.38
PHF8 Q9UPP1 1/20 0.38
KDM2A Q9Y2K7 1/20 0.38

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
SCHEMBL6947286 1.00 KDM4E (0.48) KDM4ENPC1TSHRPAOXSUCNR1
SCHEMBL16364172 0.87 KDM4E (0.41) KDM4ENPC1TSHRPAOXSUCNR1
SCHEMBL9805779 0.85 KDM4E (0.46) KDM4ENPC1TSHRPAOXSUCNR1
SCHEMBL9805775 0.85 KDM4E (0.46) KDM4ENPC1TSHRPAOXSUCNR1
SCHEMBL28290388 0.83 FOLH1 (0.46) KDM4ENPC1KDM4AKDM4CKDM5A
SCHEMBL28290386 0.83 FOLH1 (0.46) KDM4ENPC1KDM4AKDM4CKDM5A
SCHEMBL2907971 0.82 CA2 (0.42) TSHR
SCHEMBL6544634 0.82 CA2 (0.42) TSHR
SCHEMBL2129750 0.82 CA2 (0.42) TSHR
SCHEMBL11234189 0.81 KDM4E (0.43) KDM4ENPC1TSHRPAOXKDM4A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4026915-A FABRIC SOFTENERS S. C. JOHNSON & SON, INC. (US) 1977-05-31 US claimed
EP-0772771-B2 DETERMINING BIODEGRADABILITY OF ASPARTIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF DOW CHEMICAL CO (US) 2003-12-17 EP disclosed
EP-0772771-B1 DETERMINING BIODEGRADABILITY OF ASPARTIC ACID DERIVATIVES, DEGRADABLE CHELANTS, USES AND COMPOSITIONS THEREOF DOW CHEMICAL CO (US) 2000-03-15 EP disclosed
EP-0959352-A1 Determining biodegradability of aspartic acid derivatives, degradable chelants, uses and compositions thereof THE DOW CHEMICAL COMPANY (US) 1999-11-24 EP disclosed
US-5854060-A Determining biodegradability of aspartic acid derivatives, degradable chelants, uses and compositions THE DOW CHEMICAL COMPANY (US) 1998-12-29 US disclosed
US-5776763-A Analytical process to determine biodegradability of chelants containing a double carboxy containing moiety THE DOW CHEMICAL COMPANY (US) 1998-07-07 US disclosed
US-4026915-A FABRIC SOFTENERS S. C. JOHNSON & SON, INC. (US) 1977-05-31 US disclosed