SCHEMBL18862361

SCHEMBL18862361

CC(C)CCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](C)C(=O)N[C@@H](CS)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.51
▸ REN P00797 11/20 0.49
▸ SLC6A5 Q9Y345 1/20 0.46
▸ HRH1 P35367 1/20 0.43
▸ CTSB P07858 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ GRPR P30550 1/20 0.43
▸ ACE2 Q9BYF1 1/20 0.42
▸ ITGB2 P05107 1/20 0.41
▸ ICAM1 P05362 1/20 0.41
▸ ITGAL P20701 1/20 0.41
▸ EPHX2 P34913 1/20 0.41

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
SCHEMBL18862465 0.91 SLC15A2 (0.53) SLC15A2RENSLC6A5HRH1CTSB
SCHEMBL22722176 0.84 REN (0.58) SLC15A2RENSLC6A5HRH1
SCHEMBL18862329 0.83 SLC15A2 (0.51) SLC15A2RENSLC6A5HRH1CTSB
SCHEMBL18862330 0.81 REN (0.55) SLC15A2RENSLC6A5HRH1
SCHEMBL20397513 0.80 ITGB2 (0.50) SLC15A2RENSLC6A5ACE2ITGB2
SCHEMBL28410134 0.79 SLC15A2 (0.58) SLC15A2RENSLC6A5ACE2ITGB2
SCHEMBL17244043 0.78 SLC6A5 (0.73) SLC15A2RENSLC6A5ITGB2ICAM1
SCHEMBL22722179 0.78 REN (0.65) RENHRH1
SCHEMBL18862365 0.78 REN (0.67) RENHRH1
SCHEMBL18862235 0.78 REN (0.65) RENHRH1

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-20170137801-A1 TISSUE-SPECIFIC GENOME ENGINEERING USING CRISPR-CAS9 THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2017-05-18 — — US disclosed
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