SCHEMBL28935014

SCHEMBL28935014

CC(CNC(=O)C(O)C(C)(C)CO)C(=O)O

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ PTGS1 P23219 1/20 0.56
▸ KCNH2 Q12809 1/20 0.56
▸ VNN1 O95497 13/20 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
SCHEMBL7049047 0.82 PTGS1 (0.62) PTGS1KCNH2VNN1
SCHEMBL2307215 0.81 PTGS1 (0.54) PTGS1KCNH2VNN1
SCHEMBL29466949 0.81 PTGS1 (0.54) PTGS1KCNH2VNN1
SCHEMBL29977812 0.81 PTGS1 (0.54) PTGS1KCNH2VNN1
SCHEMBL18954482 0.81 PTGS1 (0.54) PTGS1KCNH2VNN1
SCHEMBL22197940 0.81 PTGS1 (0.57) PTGS1KCNH2VNN1
SCHEMBL22151100 0.80 PTGS1 (0.53) PTGS1KCNH2VNN1
SCHEMBL22151097 0.80 PTGS1 (0.53) PTGS1KCNH2VNN1
SCHEMBL22151099 0.80 PTGS1 (0.53) PTGS1KCNH2VNN1
SCHEMBL27474239 0.80 PTGS1 (0.53) 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
CN-114144230-A Macrocyclic azolopyridine derivatives as EED and PRC2 modulators 弗尔康医疗公司 2022-03-04 — — CN disclosed
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