SCHEMBL28031007

SCHEMBL28031007

O=CC[C@H]1CC[C@@H](NC(=O)O)CC1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.39
KMT2A Q03164 3/20 0.39
EPHX1 P07099 4/20 0.37
HPGD P15428 2/20 0.37
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 2/20 0.34
LMNA P02545 2/20 0.34
MMP2 P08253 1/20 0.33
MMP8 P22894 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
HTT P42858 1/20 0.32
NPC1 O15118 1/20 0.32
GAA P10253 1/20 0.32
CRHR1 P34998 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
SCHEMBL3695399 1.00 POLB (0.39) POLBKMT2AEPHX1HPGDALDH1A1
SCHEMBL3695403 1.00 POLB (0.39) POLBKMT2AEPHX1HPGDALDH1A1
SCHEMBL228161 0.82 ATM (0.40) POLBKMT2AEPHX1HPGDALDH1A1
SCHEMBL11162057 0.82 POLB (0.38) POLBKMT2AEPHX1HPGDALDH1A1
SCHEMBL28029704 0.82 POLB (0.38) POLBKMT2AEPHX1HPGDALDH1A1
SCHEMBL228162 0.82 ATM (0.40) POLBKMT2AEPHX1HPGDALDH1A1
SCHEMBL20476202 0.82 EPHX1 (0.31) KMT2AEPHX1HPGD
SCHEMBL23440760 0.81 POLB (0.37) POLBKMT2AEPHX1HPGDALDH1A1
SCHEMBL3689106 0.81 POLB (0.37) POLBKMT2AEPHX1HPGDALDH1A1
SCHEMBL3689110 0.81 POLB (0.37) POLBKMT2AEPHX1HPGDALDH1A1

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
CN-104854103-A Acylaminocycloalkyl compounds suitable for treating disorders that respond to modulation of dopamine d3 receptor ABBVIE DEUTSCHLAND 2015-08-19 CN disclosed