SCHEMBL18994930

SCHEMBL18994930

CCCCC(NC(=O)C(CCCCNC(=O)C(Cc1cnc[nH]1)NC(C)=O)NC(=O)C(Cc1cnc[nH]1)NC(C)=O)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.58
▸ SLC6A5 Q9Y345 1/20 0.48
▸ SIRT6 Q8N6T7 1/20 0.47
▸ SIRT1 Q96EB6 1/20 0.47
▸ REN P00797 3/20 0.47
▸ MC4R P32245 2/20 0.44
▸ ACE2 Q9BYF1 1/20 0.44
▸ ITGB2 P05107 1/20 0.43
▸ ICAM1 P05362 1/20 0.43
▸ ITGAL P20701 1/20 0.43
▸ EPHX2 P34913 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ CYP2C19 P33261 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
SCHEMBL15685572 0.96 SLC15A2 (0.62) SLC15A2SLC6A5RENMC4RACE2
SCHEMBL15683029 0.95 SLC15A2 (0.63) SLC15A2SLC6A5RENMC4RACE2
SCHEMBL15685547 0.87 SLC15A2 (0.55) SLC15A2RENMC4RACE2EPHX2
SCHEMBL15683028 0.85 SLC15A2 (0.49) SLC15A2SIRT6SIRT1RENMC4R
SCHEMBL15683034 0.85 SLC15A2 (0.52) SLC15A2SLC6A5RENMC4RACE2
SCHEMBL15683026 0.80 SLC15A2 (0.47) SLC15A2RENMC4R
SCHEMBL15683050 0.79 MC4R (0.48) SLC15A2RENMC4R
SCHEMBL15683044 0.77 ITGB2 (0.64) SLC15A2SLC6A5RENACE2ITGB2
SCHEMBL468830 0.77 ITGB2 (0.64) SLC15A2SLC6A5RENACE2ITGB2
SCHEMBL6026427 0.77 ITGB2 (0.64) SLC15A2SLC6A5RENACE2ITGB2

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-9682157-B2 PH-sensitive imaging agents BOARD OF TRUSTEES OF SOUTHERN ILLINOIS UNIVERSITY (US) 2017-06-20 — — US disclosed
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