SCHEMBL18258137

SCHEMBL18258137

C#CCOCC(C)(COCC#C)NNC(=O)OC(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
APLNR P35414 1/20 0.36
CTSK P43235 3/20 0.33
TDP1 Q9NUW8 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA7 P43166 1/20 0.31
TSHR P16473 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
MAPK1 P28482 1/20 0.31
CTSS P25774 2/20 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
SCHEMBL18250963 0.84 CTSK (0.35) CTSKTDP1CA1CA2CA7
SCHEMBL21738917 0.78 CTSK (0.35) APLNRCTSKTDP1CA1CA2
SCHEMBL17268906 0.78 CTSK (0.35) APLNRCTSKTDP1CA1CA2
SCHEMBL20134162 0.77 CTSK (0.42) CTSK
SCHEMBL18857615 0.75 TDP1 (0.38) CTSKTDP1CA1CA2TSHR
SCHEMBL25605409 0.75 APLNR (0.44) APLNRCTSKTDP1CA1CA2
SCHEMBL17273226 0.74 TDP1 (0.34) CTSKTDP1CA1CA2CA7
SCHEMBL20933070 0.73 TDP1 (0.42) CTSKTDP1CA1CA2CA7
SCHEMBL23743602 0.73 CTSK (0.43) CTSKCA1CA2CA7CTSS
SCHEMBL21071470 0.73 MEN1 (0.38) APLNRCTSKTDP1CA1CA2

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
WO-2016185425-A1 DENDRI-TAC AND THEIR USE AS THERANOSTICS UNIVERSITE D'AVIGNON ET DES PAYS DU VAUCLUSE (FR) 2016-11-24 WO disclosed