SCHEMBL22991807

SCHEMBL22991807

CCCCCC(N)C(=O)NCCCCC(NC(=O)C(N)CCCCN)C(=O)NCCCCC(NC(=O)C(CCCCNC(=O)C(N)CCCCN)NC(=O)C(N)CCCCN)C(=O)NCCCCCCNC(=O)C(CCCCNC(=O)C(CCCCNC(=O)C(N)CCCCN)NC(=O)C(N)CCCCN)NC(=O)C(CCCCNC(=O)C(N)CCCCN)NC(=O)C(N)CCCCN

nearest known ligand 0.80

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.80
▸ GNAO1 P09471 1/20 0.80
▸ GNAI1 P63096 1/20 0.80
▸ SIRT1 Q96EB6 2/20 0.72
▸ SIRT6 Q8N6T7 1/20 0.72
▸ RRM1 P23921 1/20 0.66
▸ DPP7 Q9UHL4 4/20 0.63
▸ TLR2 O60603 5/20 0.56
▸ NOD1 Q9Y239 1/20 0.56
▸ DPP8 Q6V1X1 2/20 0.52
▸ DPP9 Q86TI2 2/20 0.52
▸ NMT2 O60551 2/20 0.50
▸ NMT1 P30419 2/20 0.50
▸ SIRT2 Q8IXJ6 1/20 0.48
▸ SIRT3 Q9NTG7 1/20 0.48
▸ DPP4 P27487 1/20 0.47

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
SCHEMBL18159955 0.94 GNAI3 (0.70) GNAI3GNAO1GNAI1SIRT1SIRT6
SCHEMBL18653408 0.93 GNAI3 (0.67) GNAI3GNAO1GNAI1SIRT1SIRT6
SCHEMBL12015618 0.93 GNAI3 (0.67) GNAI3GNAO1GNAI1SIRT1SIRT6
SCHEMBL18159954 0.93 GNAI3 (0.71) GNAI3GNAO1GNAI1SIRT1SIRT6
SCHEMBL7565866 0.91 GNAI3 (0.78) GNAI3GNAO1GNAI1SIRT1SIRT6
SCHEMBL20243574 0.91 GNAI3 (0.63) GNAI3GNAO1GNAI1SIRT1SIRT6
SCHEMBL18159952 0.90 GNAI3 (0.63) GNAI3GNAO1GNAI1SIRT1SIRT6
Lycetamine SCHEMBL380159 0.89 GNAI3 (1.00) GNAI3GNAO1GNAI1SIRT1SIRT6
SCHEMBL17469767 0.89 GNAI3 (1.00) GNAI3GNAO1GNAI1SIRT1SIRT6
N-Dodecyl Lysine Amide SCHEMBL22719981 0.89 GNAI3 (1.00) GNAI3GNAO1GNAI1SIRT1SIRT6

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
EP-3116887-B1 CARBOHYDRATE LIGANDS THAT BIND TO IGM ANTIBODIES AGAINST MYELIN-ASSOCIATED GLYCOPROTEIN UNIV BASEL (CH) 2021-02-17 — — EP disclosed
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