SCHEMBL8734506

SCHEMBL8734506

CC([O])CCNC1CCCCCCCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.42
GAA P10253 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 2/20 0.39
ANPEP P15144 2/20 0.38
ERAP2 Q6P179 2/20 0.38
EPHX1 P07099 2/20 0.38
RAD52 P43351 1/20 0.38
CXCR4 P61073 3/20 0.38
TAAR1 Q96RJ0 1/20 0.38
CYP1A2 P05177 2/20 0.37
CXCL12 P48061 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
LMNA P02545 1/20 0.36
CYP2D6 P10635 1/20 0.36
SCN1A P35498 1/20 0.36
SCN2A Q99250 1/20 0.36

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
SCHEMBL7777018 0.83 ALDH1A1 (0.52) KDM4EGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL3679901 0.83 ALDH1A1 (0.52) KDM4EGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL7776906 0.80 ALDH1A1 (0.53) KDM4EGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL17743410 0.79 KDM4E (0.52) KDM4EGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL3539238 0.79 KDM4E (0.52) KDM4EGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL17743460 0.79 KDM4E (0.52) KDM4EGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL10895092 0.79 KDM4E (0.42) KDM4EGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL11052652 0.78 KDM4E (0.41) KDM4EGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL893879 0.78 KDM4E (0.41) KDM4EGAARAB9ASMN1; SMN2ALDH1A1
SCHEMBL17743423 0.77 KDM4E (0.48) KDM4EGAARAB9ASMN1; SMN2ALDH1A1

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-0857180-A1 READILY SUPPORTABLE METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1998-08-12 EP disclosed
WO-1997015602-A1 READILY SUPPORTABLE METAL COMPLEXES THE DOW CHEMICAL COMPANY (US) 1997-05-01 WO disclosed