SCHEMBL12376949

SCHEMBL12376949

COCCNC(=O)CCCCCN1C(=O)C=CC1=O

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.71
▸ HPGD P15428 3/20 0.71
▸ HTT P42858 2/20 0.71
▸ PTGS1 P23219 7/20 0.53
▸ PTGS2 P35354 7/20 0.53
▸ CYP2C19 P33261 3/20 0.51
▸ CYP1A2 P05177 2/20 0.51
▸ CYP3A4 P08684 2/20 0.51
▸ ALDH1A1 P00352 3/20 0.48
▸ TSHR P16473 1/20 0.47
▸ MGLL Q99685 4/20 0.47
▸ FAAH O00519 3/20 0.47
▸ TP53 P04637 2/20 0.47
▸ HSP90AA1 P07900 1/20 0.47
▸ TLR9 Q9NR96 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ PKM P14618 1/20 0.47
▸ XBP1 P17861 1/20 0.47
▸ MAPK1 P28482 1/20 0.47

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
SCHEMBL19380534 0.93 HPGD (0.63) SMN1; SMN2HPGDHTTPTGS1PTGS2
SCHEMBL24686939 0.93 HPGD (0.63) SMN1; SMN2HPGDHTTPTGS1PTGS2
SCHEMBL24686272 0.93 HPGD (0.63) SMN1; SMN2HPGDHTTPTGS1PTGS2
SCHEMBL24686941 0.93 HPGD (0.63) SMN1; SMN2HPGDHTTPTGS1PTGS2
SCHEMBL24687404 0.93 HPGD (0.63) SMN1; SMN2HPGDHTTPTGS1PTGS2
SCHEMBL24686268 0.93 HPGD (0.63) SMN1; SMN2HPGDHTTPTGS1PTGS2
SCHEMBL24686927 0.93 HPGD (0.63) SMN1; SMN2HPGDHTTPTGS1PTGS2
SCHEMBL24687409 0.93 HPGD (0.63) SMN1; SMN2HPGDHTTPTGS1PTGS2
SCHEMBL24687310 0.93 HPGD (0.63) SMN1; SMN2HPGDHTTPTGS1PTGS2
SCHEMBL27229081 0.93 HPGD (0.63) SMN1; SMN2HPGDHTTPTGS1PTGS2

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
US-7998726-B2 Method for fixing a protein on a pyrrole-based polymer and use thereof for making a sensor COMMISSARIAT A L'ENERGIE ATOMIQUE (FR) 2011-08-16 — — US disclosed
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