SCHEMBL17768963

SCHEMBL17768963

COC(=O)CCCC(=O)NCCCN1C(=O)C=CC1=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.45
▸ HPGD P15428 2/20 0.45
▸ HTT P42858 2/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.45
▸ PTGS1 P23219 4/20 0.43
▸ PTGS2 P35354 4/20 0.43
▸ MGLL Q99685 3/20 0.42
▸ FAAH O00519 2/20 0.42
▸ ALDH1A1 P00352 3/20 0.41
▸ BCL2 P10415 1/20 0.41
▸ MCL1 Q07820 1/20 0.41
▸ RECQL P46063 2/20 0.41
▸ LMNA P02545 2/20 0.41
▸ NPSR1 Q6W5P4 2/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ TLR9 Q9NR96 1/20 0.41
▸ TP53 P04637 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ PKM P14618 1/20 0.41
▸ XBP1 P17861 1/20 0.41

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
SCHEMBL5161619 0.85 MGLL (0.54) TSHRHPGDHTTSMN1; SMN2PTGS1
SCHEMBL5165630 0.82 PTGS1 (0.64) TSHRHPGDHTTSMN1; SMN2PTGS1
SCHEMBL822926 0.82 PTGS1 (0.64) TSHRHPGDHTTSMN1; SMN2PTGS1
SCHEMBL12642012 0.81 PTGS1 (0.54) HPGDHTTSMN1; SMN2PTGS1PTGS2
SCHEMBL13531990 0.80 PTGS1 (0.47) HPGDHTTSMN1; SMN2PTGS1PTGS2
SCHEMBL10148026 0.80 HPGD (0.51) TSHRHPGDHTTSMN1; SMN2PTGS1
SCHEMBL15613431 0.79 PTGS1 (0.57) HPGDPTGS1PTGS2MGLLFAAH
SCHEMBL12107717 0.79 PTGS1 (0.51) HPGDHTTSMN1; SMN2PTGS1PTGS2
SCHEMBL13077804 0.79 PTGS1 (0.47) HPGDHTTSMN1; SMN2PTGS1PTGS2
SCHEMBL12376949 0.79 SMN1; SMN2 (0.71) TSHRHPGDHTTSMN1; SMN2PTGS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11834559-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2023-12-05 — — US disclosed
EP-4029904-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS Nanocore ApS (DK) 2022-07-20 — — EP disclosed
US-20210230381-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2021-07-29 — — US disclosed
US-20210230381-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2021-07-29 — — US disclosed
US-11028240-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2021-06-08 — — US disclosed
US-11028240-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2021-06-08 — — US disclosed
US-10301443-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2019-05-28 — — US disclosed
US-10301443-B2 Composite materials with desired characteristics NANOCORE APS (DK) 2019-05-28 — — US disclosed
US-20180298154-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2018-10-18 — — US disclosed
EP-3218427-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS NANOCORE APS (DK) 2017-09-20 — — EP disclosed
WO-2016078664-A1 DESIGN OF COMPOSITE MATERIALS WITH DESIRED CHARACTERISTICS LUNDORF PEDERSEN MATERIALS APS (DK) 2016-05-26 — — WO disclosed
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