SCHEMBL8043444

SCHEMBL8043444

O=C(O)OC1CC[C@H]2CCC[C@@H]12

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
CYP2D6 P10635 1/20 0.35
NPC1 O15118 1/20 0.33
RAB9A P51151 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
LMNA P02545 3/20 0.31
MC4R P32245 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
MAPT P10636 3/20 0.31
CA12 O43570 2/20 0.31
GMNN O75496 2/20 0.31
CA1 P00915 2/20 0.31
CA2 P00918 2/20 0.31
BLM P54132 2/20 0.31
CA9 Q16790 2/20 0.31
TDP1 Q9NUW8 2/20 0.31
SGMS1 Q86VZ5 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
SCHEMBL6021828 1.00 ALDH1A1 (0.35) ALDH1A1MEN1KMT2ACYP2D6NPC1
SCHEMBL7181835 0.92 NPC1 (0.33) ALDH1A1MEN1KMT2ACYP2D6NPC1
SCHEMBL5932631 0.78 MAPT (0.33) ALDH1A1MEN1KMT2ACYP2D6LMNA
SCHEMBL23493930 0.77 ATM (0.33) ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL11072360 0.77 SGMS1 (0.35) ALDH1A1MEN1KMT2ACYP2D6NPC1
SCHEMBL23493999 0.76 ALDH1A1 (0.37) ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL5933295 0.75 ALDH1A1 (0.32) ALDH1A1MEN1KMT2ACYP2D6LMNA
SCHEMBL28039695 0.75 MEN1 (0.45) ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL12684678 0.75 MEN1 (0.45) ALDH1A1MEN1KMT2ACYP2D6
SCHEMBL1069661 0.74 SERPINE1 (0.38) ALDH1A1KMT2ASMN1; SMN2TDP1

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-0660935-B1 IMMUNOLOGICAL DETECTION USING TWO DETECTABLE LABELS MARCONI GEC LTD (GB) 2000-05-24 EP claimed