SCHEMBL7706864

SCHEMBL7706864

CC/C(C)=C/CN1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
KMT2A Q03164 2/20 0.35
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
LMNA P02545 1/20 0.34
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
SIGMAR1 Q99720 2/20 0.33
HSD17B10 Q99714 1/20 0.32
POLB P06746 1/20 0.31
CXCR4 P61073 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
SCHEMBL7706868 1.00 MEN1 (0.35) MEN1ALDH1A1KMT2ARECQLSMN1; SMN2
SCHEMBL7710812 1.00 MEN1 (0.35) MEN1ALDH1A1KMT2ARECQLSMN1; SMN2
SCHEMBL7707626 0.89 MEN1 (0.31) MEN1ALDH1A1KMT2ARECQLSMN1; SMN2
SCHEMBL7707634 0.89 MEN1 (0.31) MEN1ALDH1A1KMT2ARECQLSMN1; SMN2
SCHEMBL7708096 0.81 CHRNB2 (0.40) MEN1ALDH1A1KMT2ALMNASIGMAR1
SCHEMBL7708094 0.81 CHRNB2 (0.40) MEN1ALDH1A1KMT2ALMNASIGMAR1
SCHEMBL7710789 0.81 CHRNB2 (0.40) MEN1ALDH1A1KMT2ALMNASIGMAR1
SCHEMBL9404145 0.81 GBA1 (0.43) MEN1ALDH1A1KMT2ARECQLSMN1; SMN2
SCHEMBL7704824 0.79 CHRNB2 (0.43) MEN1ALDH1A1KMT2ALMNA
SCHEMBL7704822 0.79 CHRNB2 (0.43) MEN1ALDH1A1KMT2ALMNA

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
US-6359174-B1 REACTING ALLYL REACTANT WITH ACID CHLORIDE IN PRESENCE OF LEWIS ACID CATALYST THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2002-03-19 US disclosed