SCHEMBL12317642

SCHEMBL12317642

NCCOCCOCCOCCN1C(=O)c2ccccc2C1=O

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.51
▸ HPGD P15428 3/20 0.51
▸ NPSR1 Q6W5P4 1/20 0.51
▸ RAB9A P51151 8/20 0.50
▸ NPC1 O15118 3/20 0.50
▸ SMN1; SMN2 Q16637 3/20 0.50
▸ TSHR P16473 2/20 0.50
▸ MAPT P10636 1/20 0.50
▸ GLS O94925 1/20 0.49
▸ HEXA P06865 1/20 0.47
▸ HEXB P07686 1/20 0.47
▸ CASP3 P42574 1/20 0.47
▸ SENP8 Q96LD8 1/20 0.47
▸ SENP7 Q9BQF6 1/20 0.47
▸ SENP6 Q9GZR1 1/20 0.47
▸ KMT2A Q03164 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ TDP1 Q9NUW8 1/20 0.47
▸ MEN1 O00255 1/20 0.46
▸ GLA P06280 1/20 0.46

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
SCHEMBL10126593 1.00 GAA (0.51) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL11957411 0.98 HPGD (0.53) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL8862746 0.91 GAA (0.60) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL8862856 0.91 GAA (0.60) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL7519591 0.91 GAA (0.60) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL8862940 0.91 GAA (0.60) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL2743018 0.89 HPGD (0.61) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL25042416 0.86 RAB9A (0.54) GAAHPGDNPSR1RAB9ANPC1
SCHEMBL30274343 0.86 RAB9A (0.54) GAAHPGDNPSR1RAB9ANPC1
Fluoride SCHEMBL29965325 0.85 RAB9A (0.53) GAAHPGDNPSR1RAB9ANPC1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2455457-B1 Covalent tethering of functional groups to proteins PROMEGA CORP (US) 2015-03-11 — — EP disclosed
EP-2369006-A1 Covalent tethering of functional groups to proteins Promega Corporation (US) 2011-09-28 — — EP disclosed
Send feedback