SCHEMBL18902245

SCHEMBL18902245

CCCN1C(=O)CCC1O

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.39
MEN1 O00255 2/20 0.39
POLB P06746 1/20 0.39
TP53 P04637 1/20 0.39
MDM2 Q00987 1/20 0.39
P2RX7 Q99572 3/20 0.38
ALDH1A1 P00352 1/20 0.35
PTGER4 P35408 7/20 0.35
PTGER3 P43115 6/20 0.35
PTGER2 P43116 5/20 0.35
CHRM2 P08172 3/20 0.33
CHRM4 P08173 3/20 0.33
CHRM5 P08912 3/20 0.33
CHRM1 P11229 3/20 0.33
CHRM3 P20309 3/20 0.33
BRD4 O60885 1/20 0.33
GBA1 P04062 1/20 0.33

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
SCHEMBL24164410 0.89 MEN1 (0.50) KMT2AMEN1POLBTP53MDM2
SCHEMBL24147875 0.85 GBA1 (0.51) KMT2AMEN1POLBALDH1A1PTGER4
SCHEMBL18676859 0.83
SCHEMBL19218077 0.82 PDK2 (0.35) KMT2AMEN1POLBPTGER4PTGER2
SCHEMBL25989676 0.79 GBA1 (0.36) KMT2AMEN1ALDH1A1GBA1
SCHEMBL24594833 0.79 PTGER4 (0.35) KMT2AMEN1POLBP2RX7PTGER4
SCHEMBL4330615 0.78 CHRM2 (0.49) KMT2AMEN1POLBTP53MDM2
SCHEMBL19174153 0.77 GBA1 (0.39) KMT2AMEN1POLBPTGER4PTGER3
SCHEMBL14839577 0.76 PTGER4 (0.40) KMT2AMEN1POLBTP53MDM2
SCHEMBL19276884 0.76 MEN1 (0.34) KMT2AMEN1ALDH1A1PTGER4PTGER2

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-2910608-B1 DIMERIC ANIONIC MONOAZO DYES ARCHROMA IP GMBH (CH) 2017-05-31 EP disclosed