SCHEMBL20243574

SCHEMBL20243574

NCCCCC(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(CCNC(=O)C(N)CCCCN)NC(=O)C(N)CCCCN

nearest known ligand 0.63

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GNAI3 P08754 1/20 0.63
▸ GNAO1 P09471 1/20 0.63
▸ GNAI1 P63096 1/20 0.63
▸ SIRT6 Q8N6T7 1/20 0.58
▸ SIRT1 Q96EB6 1/20 0.58
▸ NMT1 P30419 5/20 0.53
▸ NMT2 O60551 4/20 0.53
▸ RRM1 P23921 1/20 0.51
▸ DPP7 Q9UHL4 3/20 0.49
▸ TLR2 O60603 2/20 0.46
▸ NOD1 Q9Y239 1/20 0.44
▸ MMP2 P08253 1/20 0.43
▸ DPP8 Q6V1X1 1/20 0.43
▸ DPP9 Q86TI2 1/20 0.43
▸ TERT O14746 2/20 0.43
▸ ROCK2 O75116 1/20 0.42

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
SCHEMBL12015618 0.97 GNAI3 (0.67) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL18653408 0.97 GNAI3 (0.67) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL22991807 0.91 GNAI3 (0.80) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL17087672 0.91 GNAI3 (0.59) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL18159952 0.91 GNAI3 (0.63) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL16301980 0.90 GNAI3 (0.58) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL18653407 0.89 GNAI3 (0.60) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL22750084 0.89 GNAI3 (0.57) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL17977155 0.89 GNAI3 (0.57) GNAI3GNAO1GNAI1SIRT6SIRT1
SCHEMBL17087724 0.89 GNAI3 (0.57) GNAI3GNAO1GNAI1SIRT6SIRT1

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
US-9994605-B2 Carbohydrate ligands that bind to IgM antibodies against myelin-associated glycoprotein UNIVERSITAET BASEL (CH) 2018-06-12 — — US disclosed
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