SCHEMBL7108440

SCHEMBL7108440

CCC#CCC1=CCC[C@@H]1CC(=O)OC

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MIF P14174 1/20 0.33
PTGER2 P43116 1/20 0.32
BRD4 O60885 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
SCHEMBL7943227 0.76 PTGER2 (0.49) MIFPTGER2BRD4
SCHEMBL7987075 0.75 PTGER2 (0.51) PTGER2
SCHEMBL7111885 0.71
SCHEMBL10556696 0.65 MIF (0.33) MIFBRD4
SCHEMBL9509126 0.63 BRD4 (0.44) MIFBRD4
SCHEMBL11798100 0.61 AKR1C4 (0.41) PTGER2BRD4
SCHEMBL29634374 0.61 AKR1C4 (0.41) PTGER2BRD4
SCHEMBL11502808 0.60
SCHEMBL10974460 0.60 ALDH1A1 (0.36) BRD4
SCHEMBL10642355 0.60 BRD4 (0.42) MIFBRD4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1048643-B1 Process for the preparation of chiral epoxides FIRMENICH & CIE (CH) 2003-10-22 EP disclosed
US-6262288-B1 Process for the preparation of chiral epoxides FIRMENICH SA (CH) 2001-07-17 US disclosed
EP-1048643-A1 Process for the preparation of chiral epoxides FIRMENICH SA (CH) 2000-11-02 EP disclosed