SCHEMBL18173548

SCHEMBL18173548

C[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)CN)C(=O)N[C@@H](CC(=O)O)C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MME P08473 1/20 0.53
LTA4H P09960 2/20 0.52
REN P00797 3/20 0.50
GNPAT O15228 1/20 0.48
MMP2 P08253 1/20 0.48
MMP7 P09237 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
MMP13 P45452 1/20 0.48
ACE P12821 1/20 0.48
OPRD1 P41143 3/20 0.47
OPRM1 P35372 2/20 0.47
OPRK1 P41145 2/20 0.47
PSMB5 P28074 2/20 0.47
BACE1 P56817 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
SCHEMBL18173547 1.00 MME (0.53) MMELTA4HRENGNPATMMP2
SCHEMBL29365781 1.00 MME (0.53) MMELTA4HRENGNPATMMP2
SCHEMBL10423770 0.92 BACE1 (0.53) BACE1
SCHEMBL10423767 0.92 BACE1 (0.53) BACE1
SCHEMBL2519489 0.90 ACE (0.56) MMERENMMP2MMP7MMP9
SCHEMBL2519495 0.90 ACE (0.56) MMERENMMP2MMP7MMP9
SCHEMBL29896984 0.89 MME (0.52) MMERENGNPATACEOPRD1
SCHEMBL31607204 0.89 MME (0.55) MMEGNPATMMP2MMP7MMP9
SCHEMBL8060317 0.88 MME (0.59) MMELTA4HRENMMP2MMP7
SCHEMBL8060325 0.88 MME (0.59) MMELTA4HRENMMP2MMP7

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20220395521-A1 MICROBIOME REGULATORS AND RELATED USES THEREOF KALEIDO BIOSCIENCES, INC. (US) 2022-12-15 US disclosed
US-20180296582-A1 MICROBIOME REGULATORS AND RELATED USES THEREOF HERCULES CAPITAL, INC. 2018-10-18 US disclosed
EP-3285778-A2 MICROBIOME REGULATORS AND RELATED USES THEREOF Kaleido Biosciences, Inc. (US) 2018-02-28 EP disclosed
WO-2016172658-A2 MICROBIOME REGULATORS AND RELATED USES THEREOF KALEIDO BIOSCIENCES, INC. (US) 2016-10-27 WO disclosed