SCHEMBL18519293

SCHEMBL18519293

CC[C@@H](C(C)=O)N1C(C)CCCC1C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.36
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
MGLL Q99685 1/20 0.34
ALDH1A1 P00352 3/20 0.33
GLA P06280 1/20 0.33
HPGD P15428 1/20 0.33
ACE P12821 1/20 0.33
ACHE P22303 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL11728796 0.85 MEN1 (0.38) RECQLKMT2AMEN1MGLLALDH1A1
SCHEMBL18878618 0.78 KDM4E (0.38) KMT2AMEN1ALDH1A1SIGMAR1LMNA
SCHEMBL18939488 0.74 ACE (0.42) RECQLKMT2AMEN1ALDH1A1GLA
SCHEMBL28751706 0.74 ALDH1A1 (0.35) RECQLKMT2AMEN1MGLLALDH1A1
SCHEMBL11614822 0.74 SLC6A2 (0.50) KMT2AMEN1ALDH1A1GLAHPGD
SCHEMBL27822771 0.73 RECQL (0.36) RECQLKMT2AMGLLALDH1A1GLA
SCHEMBL4363959 0.71 ACHE (0.37) RECQLKMT2AMEN1MGLLALDH1A1
SCHEMBL21840794 0.70 MGLL (0.37) RECQLKMT2AMEN1MGLLACHE
SCHEMBL12635243 0.67 SLC6A3 (0.46) LMNACA12CA1CA2CA3
SCHEMBL8813400 0.67 SLC6A3 (0.46) LMNACA12CA1CA2CA3

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-20170045526-A1 MASS LABELS ELECTROPHORETICS LIMITED (GB) 2017-02-16 US disclosed