SCHEMBL4552113

SCHEMBL4552113

COC(=O)C=C1CCN(C(=O)O)C(C(C)(C)C)C1

nearest known ligand 0.31

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 2/20 0.31

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
SCHEMBL4552112 1.00 OPRK1 (0.31) OPRK1
SCHEMBL16969175 0.85 ESR2 (0.39)
SCHEMBL16969177 0.85 ESR2 (0.39)
SCHEMBL2353284 0.83
SCHEMBL2353287 0.83
SCHEMBL14685956 0.81 TSHR (0.33) OPRK1
SCHEMBL2559214 0.81 TSHR (0.33) OPRK1
SCHEMBL29878192 0.76 NPC1 (0.32)
SCHEMBL7714095 0.74 MAP4K4 (0.35)
SCHEMBL2579922 0.74 MAP4K4 (0.35)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2045245-B1 INREVERSIBLE PROTEIN TYROSINE KINASES INHIBITORS AND THE PREPARATION METHODS AND USES THEREOF TIAN JIN HEMAY BIO TECH CO LTD (CN) 2013-10-23 EP disclosed
EP-2045245-A1 INREVERSIBLE PROTEIN TYROSINE KINASES INHIBITORS AND THE PREPARATION METHODS AND USES THEREOF Tian Jin Hemay Bio-Tech Co., Ltd. (CN) 2009-04-08 EP disclosed