SCHEMBL1939288

SCHEMBL1939288

C=CCOC(=O)[C@H](CCCNC(=N)N)NCCCCC

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
ZDHHC20 Q5W0Z9 1/20 0.38
ZDHHC2 Q9UIJ5 1/20 0.38
DPP7 Q9UHL4 2/20 0.36
SIRT6 Q8N6T7 1/20 0.35
SIRT1 Q96EB6 1/20 0.35
SPHK1 Q9NYA1 3/20 0.34
NOD1 Q9Y239 1/20 0.34
RRM1 P23921 1/20 0.34
EPHX1 P07099 4/20 0.33
TGM2 P21980 1/20 0.33
TLR2 O60603 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
GNAI3 P08754 1/20 0.33
GNAO1 P09471 1/20 0.33
GNAI1 P63096 1/20 0.33
FAAH O00519 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.32

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
SCHEMBL368705 0.86 DPP7 (0.40) TSHRDPP7SIRT6SIRT1SPHK1
SCHEMBL23549407 0.85 TSHR (0.41) TSHRDPP7SIRT6SIRT1SPHK1
SCHEMBL3043418 0.85 TSHR (0.41) TSHRDPP7SIRT6SIRT1SPHK1
SCHEMBL368948 0.85 DPP7 (0.39) DPP7SIRT6SIRT1SPHK1NOD1
Hydrochloric Acid SCHEMBL3043413 0.84 SPHK1 (0.42) TSHRDPP7SIRT6SIRT1SPHK1
Hydrochloric Acid SCHEMBL10931245 0.84 SPHK1 (0.42) TSHRDPP7SIRT6SIRT1SPHK1
SCHEMBL23752089 0.84 EPHX1 (0.44) DPP7SIRT6SIRT1SPHK1NOD1
SCHEMBL27743938 0.84 EPHX1 (0.44) DPP7SIRT6SIRT1SPHK1NOD1
SCHEMBL23752090 0.84 EPHX1 (0.44) DPP7SIRT6SIRT1SPHK1NOD1
SCHEMBL5916980 0.83 SIRT1 (0.46) TSHRZDHHC20ZDHHC2DPP7SIRT6

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-2331048-B1 OLIGOMERIC BIOSURFACTANTS OWEN DONALD (US) 2019-07-10 EP disclosed
US-8431523-B2 Oligomeric biosurfactants in dermatocosmetic compositions OWEN DONALD R (US) 2013-04-30 US disclosed
US-20110250153-A1 OLIGOMERIC BIOSURFACTANTS IN DERMATOCOSMETIC COMPOSITIONS OWEN DONALD R 2011-10-13 US disclosed
EP-2331048-A1 OLIGOMERIC BIOSURFACTANTS IN DERMATOCOSMETIC COMPOSITIONS Owen, Donald (US) 2011-06-15 EP disclosed
WO-2009148947-A1 OLIGOMERIC BIOSURFACTANTS IN DERMATOCOSMETIC COMPOSITIONS OWEN DONALD (US) 2009-12-10 WO disclosed