SCHEMBL9219836

SCHEMBL9219836

CCCCCCCCC(CCCCCC)CN[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ TLR2 O60603 1/20 0.41
▸ NOD1 Q9Y239 6/20 0.41
▸ SIRT6 Q8N6T7 1/20 0.40
▸ SIRT1 Q96EB6 1/20 0.40
▸ FOLH1 Q04609 3/20 0.39
▸ LCK P06239 1/20 0.39
▸ PPARD Q03181 1/20 0.39
▸ ZDHHC20 Q5W0Z9 1/20 0.39
▸ ZDHHC2 Q9UIJ5 1/20 0.39
▸ GNAI3 P08754 1/20 0.37
▸ GNAO1 P09471 1/20 0.37
▸ GNAI1 P63096 1/20 0.37
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ SLC6A5 Q9Y345 1/20 0.37
▸ SPHK1 Q9NYA1 3/20 0.36
▸ EPHX2 P34913 1/20 0.36
▸ GPR84 Q9NQS5 1/20 0.36

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
SCHEMBL9219828 1.00 TLR2 (0.41) TLR2NOD1SIRT6SIRT1FOLH1
Phosphoric Acid SCHEMBL31256789 0.95 FNTA (0.42) TLR2NOD1SIRT6SIRT1FOLH1
Phosphoric Acid SCHEMBL21522993 0.95 FNTA (0.42) TLR2NOD1SIRT6SIRT1FOLH1
SCHEMBL27859409 0.89 GPR84 (0.43) TLR2NOD1SIRT6SIRT1FOLH1
SCHEMBL2480993 0.89 GPR84 (0.43) TLR2NOD1SIRT6SIRT1FOLH1
Hydrochloric Acid SCHEMBL6546097 0.88 GPR84 (0.42) TLR2NOD1SIRT6SIRT1SPHK1
SCHEMBL27455269 0.88 TLR2 (0.40) TLR2NOD1SIRT6SIRT1FOLH1
Hydrochloric Acid SCHEMBL27454617 0.88 GPR84 (0.42) TLR2NOD1SIRT6SIRT1SPHK1
Hydrochloric Acid SCHEMBL7111708 0.88 GPR84 (0.42) TLR2NOD1SIRT6SIRT1SPHK1
Hydrochloric Acid SCHEMBL27456313 0.88 GPR84 (0.42) TLR2NOD1SIRT6SIRT1SPHK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5409705-A Phosphobetaine and detergent and cosmetic containing the same KAO CORPORATION (JP) 1995-04-25 — — US disclosed
US-5085854-A Mono-or dialkyl phosphate; noionic surfactant; oil matrix; water; storage stable; non-clouding KAO CORPORATION (JP) 1992-02-04 — — US disclosed
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