SCHEMBL17528541

SCHEMBL17528541

OCCNCCOCCNCCNCCN1CCCC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.40
CARM1 Q86X55 1/20 0.39
PRMT6 Q96LA8 1/20 0.39
PRMT8 Q9NR22 1/20 0.39
ACE2 Q9BYF1 1/20 0.38
DPP7 Q9UHL4 2/20 0.38
CA12 O43570 3/20 0.36
CA1 P00915 3/20 0.36
CA2 P00918 3/20 0.36
CA9 Q16790 3/20 0.36
TSHR P16473 1/20 0.34
KMT2A Q03164 1/20 0.33
KDM1A O60341 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
NPC1 O15118 1/20 0.32
PSMB1 P20618 1/20 0.31
PSMB5 P28074 1/20 0.31
PSMB2 P49721 1/20 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
SCHEMBL17528539 1.00 SIGMAR1 (0.40) SIGMAR1CARM1PRMT6PRMT8ACE2
SCHEMBL17528492 0.96 SIGMAR1 (0.40) SIGMAR1CARM1PRMT6PRMT8ACE2
SCHEMBL17528531 0.93 HRH3 (0.36) SIGMAR1CARM1PRMT6PRMT8TSHR
SCHEMBL17528537 0.93 SIGMAR1 (0.40) SIGMAR1CARM1PRMT6PRMT8ACE2
SCHEMBL17528519 0.91 KDM4E (0.37) CARM1PRMT6PRMT8TSHRKMT2A
SCHEMBL17528529 0.91 SIGMAR1 (0.39) SIGMAR1CARM1PRMT6PRMT8ACE2
SCHEMBL17526290 0.91 SIGMAR1 (0.41) SIGMAR1CARM1PRMT6PRMT8ACE2
SCHEMBL17526296 0.91 HRH3 (0.36) SIGMAR1CARM1PRMT6PRMT8TSHR
SCHEMBL17528524 0.91 SIGMAR1 (0.41) SIGMAR1CARM1PRMT6PRMT8ACE2
SCHEMBL17528522 0.91 HRH3 (0.36) SIGMAR1CARM1PRMT6PRMT8TSHR

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-2016020140-A2 NITROGEN-CONTAINING COMPOUNDS SUITABLE FOR USE IN THE PRODUCTION OF POLYURETHANES EVONIK DEGUSSA GMBH (DE) 2016-02-11 WO disclosed