SCHEMBL23763979

SCHEMBL23763979

C=CCNC(=O)C(C)(C)CC(C)C

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.43
SMN1; SMN2 Q16637 3/20 0.38
MAPT P10636 2/20 0.38
TSHR P16473 2/20 0.38
ATM Q13315 1/20 0.37
ALDH1A1 P00352 3/20 0.37
HPGD P15428 2/20 0.37
GAA P10253 2/20 0.37
KMT2A Q03164 1/20 0.36
FAAH O00519 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
ALPL P05186 1/20 0.35
HSD17B10 Q99714 1/20 0.35
MMP8 P22894 1/20 0.34
LMNA P02545 1/20 0.33
PKM P14618 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
SCHEMBL1104182 0.79 RIPK1 (0.44) SMN1; SMN2MAPTTSHRALDH1A1HPGD
SCHEMBL17801557 0.79 TSHR (0.42) HTTSMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL18907736 0.77 SMN1; SMN2 (0.41) HTTSMN1; SMN2MAPTTSHRATM
SCHEMBL5821712 0.77 SMN1; SMN2 (0.41) HTTSMN1; SMN2MAPTTSHRATM
SCHEMBL22893651 0.76 MMP8 (0.42) SMN1; SMN2GAAKMT2AMMP8
SCHEMBL10818200 0.76 TSHR (0.46) HTTSMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL26190499 0.74 SMN1; SMN2 (0.38) HTTSMN1; SMN2MAPTTSHRALDH1A1
SCHEMBL18436940 0.74 MMP8 (0.34) MMP8
SCHEMBL19248359 0.73 KDM4C (0.40) SMN1; SMN2ALDH1A1GAAKMT2AMMP8
SCHEMBL9775242 0.73 ALDH1A1 (0.44) SMN1; SMN2MAPTALDH1A1GAARAB9A

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-3570972-B1 METHODS AND REAGENTS FOR SYNTHESISING POLYNUCLEOTIDE MOLECULES OXFORD NANOPORE TECH LTD (GB) 2021-08-18 EP disclosed