SCHEMBL9691448

SCHEMBL9691448

CC(O)NC(=O)C(O)C(C)(C)CO

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.55
▸ KCNH2 Q12809 1/20 0.55
▸ VNN1 O95497 13/20 0.41
▸ MMP1 P03956 2/20 0.30
▸ MMP3 P08254 2/20 0.30
▸ MMP9 P14780 2/20 0.30
▸ PSEN1 P49768 1/20 0.30
▸ PSEN2 P49810 1/20 0.30
▸ APH1B Q8WW43 1/20 0.30
▸ NCSTN Q92542 1/20 0.30
▸ APH1A Q96BI3 1/20 0.30
▸ PSENEN Q9NZ42 1/20 0.30

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
SCHEMBL5015724 0.82 PTGS1 (0.50) PTGS1KCNH2VNN1
SCHEMBL3487840 0.82 PTGS1 (0.50) PTGS1KCNH2VNN1
SCHEMBL5719421 0.82 PTGS1 (0.50) PTGS1KCNH2VNN1
SCHEMBL3487839 0.82 PTGS1 (0.50) PTGS1KCNH2VNN1
SCHEMBL5015722 0.82 PTGS1 (0.50) PTGS1KCNH2VNN1
SCHEMBL29074106 0.80 PTGS1 (0.47) PTGS1KCNH2VNN1
SCHEMBL10051718 0.78 PTGS1 (0.58) PTGS1KCNH2VNN1MMP1MMP3
SCHEMBL14602776 0.78 PTGS1 (0.58) PTGS1KCNH2VNN1MMP1MMP3
SCHEMBL29074105 0.77 METAP2 (0.51) PTGS1KCNH2VNN1
SCHEMBL29074109 0.77 PTGS1 (0.45) PTGS1KCNH2VNN1

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-5173112-A Nonplugging, improved storage stability E. I. DU PONT DE NEMOURS AND COMPANY (US) 1992-12-22 — — US disclosed
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