SCHEMBL11029404

SCHEMBL11029404

C=CCN(CC=C)CCCCC[O]

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL11319869 0.98 KDM4E (0.33) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL4352034 0.90 ALDH1A1 (0.34) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3060057 0.87 KDM4E (0.33) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6943640 0.87 KDM4E (0.33) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL3655351 0.87 KDM4E (0.33) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
Hydrochloric Acid SCHEMBL11141982 0.85 OPRK1 (0.33) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL213436 0.84 ALDH1A1 (0.35) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL147492 0.79 KDM4E (0.36) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL2699253 0.79 ALDH1A1 (0.35) KDM4EMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL6527091 0.76 OPRK1 (0.35) KDM4EMEN1KMT2ASMN1; 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0069622-B1 PROCESS FOR THE PREPARATION OF BETA-CYCLO-SUBSTITUTED ETHYL AMINES, AND PRODUCTS SO OBTAINED SANOFI S.A. (FR) 1985-09-18 EP claimed