SCHEMBL28489178

SCHEMBL28489178

CSCCC(N)C(=O)N(C(=O)C(N)CCSC)C(=O)N(C(=O)C(N)CCSC)C(=O)C(N)CCSC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RNPEP Q9H4A4 1/20 0.39
ANPEP P15144 1/20 0.38
ENPEP Q07075 1/20 0.38
BHMT Q93088 5/20 0.34
BHMT2 Q9H2M3 1/20 0.34
METAP2 P50579 1/20 0.33
METAP1 P53582 1/20 0.33
MARS1 P56192 6/20 0.32
CTSC P53634 1/20 0.32
NOS2 P35228 2/20 0.32
DPP4 P27487 1/20 0.32
DPP9 Q86TI2 1/20 0.32
NOS3 P29474 1/20 0.32
NOS1 P29475 1/20 0.32

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
SCHEMBL26092201 0.86 RNPEP (0.38) RNPEPANPEPENPEPBHMTBHMT2
SCHEMBL29738850 0.77 RNPEP (0.37) RNPEPANPEPENPEPBHMTBHMT2
Racemethionine SCHEMBL29275087 0.75 RNPEP (0.57) RNPEPANPEPENPEPBHMTBHMT2
Racemethionine SCHEMBL29275086 0.75 RNPEP (0.57) RNPEPANPEPENPEPBHMTBHMT2
Methionine SCHEMBL38922 0.75 RNPEP (0.57) RNPEPANPEPENPEPBHMTBHMT2
Racemethionine SCHEMBL29275085 0.75 RNPEP (0.57) RNPEPANPEPENPEPBHMTBHMT2
Racemethionine SCHEMBL3970073 0.75 RNPEP (0.57) RNPEPANPEPENPEPBHMTBHMT2
Racemethionine SCHEMBL38923 0.75 RNPEP (0.57) RNPEPANPEPENPEPBHMTBHMT2
Racemethionine SCHEMBL23361954 0.74 BHMT (0.57) RNPEPBHMTBHMT2NOS2NOS3
Racemethionine SCHEMBL8983115 0.74 BHMT (0.57) RNPEPBHMTBHMT2NOS2NOS3

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-105579436-B Onium salts and compositions comprising the same 旭化成株式会社 2020-12-22 CN disclosed