SCHEMBL21236748

SCHEMBL21236748

C#CCOCC(C)(COCC#C)NC(C)=O

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
ACACB O00763 1/20 0.31
KDM4E B2RXH2 1/20 0.30
PKM P14618 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
SCHEMBL18240013 0.85 TSHR (0.39) TSHR
SCHEMBL18227311 0.83 TSHR (0.36) TSHRKDM4EPKM
SCHEMBL18250963 0.81 CTSK (0.35) TSHR
SCHEMBL18240012 0.80 ALDH1A1 (0.36) TSHR
SCHEMBL19153446 0.79 KDM4E (0.35) TSHRKDM4EPKM
SCHEMBL20130254 0.75 L3MBTL1 (0.32) TSHR
SCHEMBL23097495 0.74 ALDH1A1 (0.32)
SCHEMBL20134162 0.74 CTSK (0.42)
SCHEMBL4118860 0.73 TSHR (0.37) TSHR
SCHEMBL18250964 0.73 L3MBTL1 (0.31) TSHR

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
EP-3298066-B1 DENDRI-TAC AND THEIR USE AS THERANOSTICS UNIV D'AVIGNON ET DES PAYS DE VAUCLUSE (FR) 2019-08-07 EP disclosed