SCHEMBL18084533

SCHEMBL18084533

CC(C)CNC(=O)C1(F)C#CCCCCC1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.35
POLB P06746 1/20 0.35
EPHX1 P07099 1/20 0.35
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
RECQL P46063 1/20 0.33
HSD11B1 P28845 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
MMP1 P03956 2/20 0.31
MMP8 P22894 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
SCHEMBL18087338 0.84 CYP2C19 (0.33) CYP2C19
SCHEMBL19543282 0.79
SCHEMBL19543482 0.78 SPHK1 (0.41) EPHX1
SCHEMBL15268891 0.76 CHRM2 (0.36)
SCHEMBL23366120 0.75
SCHEMBL17662375 0.75 PAOX (0.35)
SCHEMBL21970964 0.75 POLB (0.42) KDM4EPOLBEPHX1CYP2D6CYP2C19
SCHEMBL17662468 0.75 TSHR (0.32) KDM4E
SCHEMBL10072896 0.73
SCHEMBL14638747 0.72 NPSR1 (0.38)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3270903-B1 DISULFIDE-CONTAINING ALKYNE LINKING AGENTS ARROWHEAD PHARMACEUTICALS INC (US) 2020-05-06 EP disclosed
US-20180023084-A1 Disulfide-Containing Alkyne Linking Agents SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2018-01-25 US disclosed
US-9803201-B2 Disulfide-containing alkyne linking agents Arrowhead Pharmaceuticals, Inc. (US) 2017-10-31 US disclosed
US-9803201-B2 Disulfide-containing alkyne linking agents Arrowhead Pharmaceuticals, Inc. (US) 2017-10-31 US disclosed
US-20160272971-A1 Disulfide-Containing Alkyne Linking Agents SIXTH STREETLENDING PARTNERS, AS THE ADMINISTRATIVE AGENT 2016-09-22 US disclosed