SCHEMBL6730640

SCHEMBL6730640

OCC(O)CN(CCCCCCN(CC(O)CO)CC(O)CO)CCCCCCN(CC(O)CO)CC(O)CO

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 2/20 0.32
THRB P10828 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 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
SCHEMBL4844804 0.90 LMNA (0.42) LMNAALDH1A1KDM4ETHRBMAPK1
SCHEMBL4248406 0.87 LMNA (0.44) LMNAALDH1A1KDM4ETHRB
SCHEMBL3967264 0.87 LMNA (0.44) LMNAALDH1A1KDM4ETHRB
SCHEMBL32670321 0.87 LMNA (0.44) LMNAALDH1A1KDM4ETHRB
SCHEMBL11416016 0.87 USP2 (0.46) LMNAALDH1A1KDM4EMAPK1TDP1
SCHEMBL9499250 0.87 USP2 (0.46) LMNAALDH1A1KDM4EMAPK1TDP1
SCHEMBL3673713 0.87 USP2 (0.46) LMNAKDM4EMAPK1TDP1
SCHEMBL1288234 0.87 USP2 (0.46) LMNAKDM4EMAPK1TDP1
SCHEMBL11405257 0.87 USP2 (0.46) LMNAKDM4EMAPK1TDP1
SCHEMBL3669886 0.87 USP2 (0.46) LMNAKDM4EMAPK1TDP1

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
US-6673890-B1 DETERGENTS, DISPERSANTS BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 US claimed
EP-1198492-B1 ZWITTERIONIC POLYAMINES AND A PROCESS FOR THEIR PRODUCTION BASF AG (DE) 2003-10-08 EP claimed
US-6673890-B1 DETERGENTS, DISPERSANTS BASF AKTIENGESELLSCHAFT (DE) 2004-01-06 US disclosed
EP-1198492-B1 ZWITTERIONIC POLYAMINES AND A PROCESS FOR THEIR PRODUCTION BASF AG (DE) 2003-10-08 EP disclosed