SCHEMBL7707567

SCHEMBL7707567

CC(=O)ON1CC(C)CC(C)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.37
GAA P10253 1/20 0.35
ALDH1A1 P00352 4/20 0.33
HPGD P15428 2/20 0.33
MEN1 O00255 1/20 0.33
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
RAB9A P51151 1/20 0.33
PLA2G1B P04054 1/20 0.33
ATG4B Q9Y4P1 1/20 0.33
CHRM2 P08172 2/20 0.32
CHRM4 P08173 2/20 0.32
CHRM5 P08912 2/20 0.32
CHRM1 P11229 2/20 0.32
CHRM3 P20309 2/20 0.32
TSHR P16473 1/20 0.31
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 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
SCHEMBL8137649 0.76
SCHEMBL29062240 0.76
SCHEMBL71589 0.76 PKM (0.39) KMT2AALDH1A1HPGDMEN1KDM4E
SCHEMBL7234663 0.75 ALDH1A1 (0.43) KMT2AGAAALDH1A1HPGDMEN1
SCHEMBL11612677 0.73 ALDH1A1 (0.41) KMT2AGAAALDH1A1HPGDMEN1
SCHEMBL29052233 0.69 ALDH1A1 (0.37) KMT2AALDH1A1MEN1LMNACHRM2
SCHEMBL31591139 0.69 ALDH1A1 (0.37) KMT2AALDH1A1MEN1LMNACHRM2
SCHEMBL7216698 0.69
SCHEMBL14173617 0.69 CHRNB2 (0.56) KMT2AGAAALDH1A1HPGDMEN1
SCHEMBL6628756 0.69 CHRNB2 (0.56) KMT2AGAAALDH1A1HPGDMEN1

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-6361940-B1 IMMOBILIZATION; GENETIC ENGINEERING QIAGEN GENOMICS, INC. 2002-03-26 US disclosed