SCHEMBL28042757

SCHEMBL28042757

NCC(=O)N[C@@H](Cc1cnc[nH]1)C(=O)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.70

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC15A2 Q16348 1/20 0.70
▸ REN P00797 7/20 0.61
▸ AGTR2 P50052 1/20 0.59
▸ MME P08473 1/20 0.53
▸ ECE1 P42892 1/20 0.53
▸ ITGB2 P05107 2/20 0.53
▸ ICAM1 P05362 2/20 0.53
▸ ITGAL P20701 2/20 0.53
▸ S1PR1 P21453 1/20 0.52
▸ ACE2 Q9BYF1 1/20 0.50

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
SCHEMBL2197786 0.87 SLC15A2 (0.72) SLC15A2AGTR2ITGB2ICAM1ITGAL
SCHEMBL30081493 0.87 SLC15A2 (0.72) SLC15A2AGTR2ITGB2ICAM1ITGAL
SCHEMBL28042599 0.87 REN (0.61) SLC15A2RENAGTR2MMEECE1
SCHEMBL27644676 0.85 REN (0.63) SLC15A2REN
SCHEMBL28382210 0.85 SLC15A2 (0.71) SLC15A2RENAGTR2MMEECE1
SCHEMBL8068326 0.85 MME (0.61) MMEACE2
SCHEMBL8068319 0.85 MME (0.61) MMEACE2
SCHEMBL27826956 0.84 AGTR2 (0.60) RENAGTR2MMEECE1ITGB2
SCHEMBL30184773 0.84 AGTR2 (0.60) RENAGTR2MMEECE1ITGB2
SCHEMBL28133942 0.84 REN (0.60) RENAGTR2MMEECE1ITGB2

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
CN-105112177-A Antimicrobial foamable soaps OHSO CLEAN INC 2015-12-02 — — CN disclosed
Send feedback