SCHEMBL31157745

SCHEMBL31157745

CSCC[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(C)=O)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.45
SIRT5 Q9NXA8 2/20 0.44
SIRT6 Q8N6T7 1/20 0.43
SIRT1 Q96EB6 1/20 0.43
IL23R Q5VWK5 3/20 0.42
RXFP1 Q9HBX9 2/20 0.41
GNPAT O15228 1/20 0.41
TFPI P10646 1/20 0.41
FNTA P49354 2/20 0.40
FNTB P49356 2/20 0.40
PGGT1B P53609 1/20 0.40
EIF4E P06730 1/20 0.39
EIF4EBP1 Q13541 1/20 0.39
BACE1 P56817 1/20 0.38

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
SCHEMBL30463274 0.95 FOLH1 (0.46) FOLH1SIRT5IL23RGNPATFNTA
SCHEMBL29428964 0.95 FOLH1 (0.46) FOLH1SIRT5IL23RGNPATFNTA
SCHEMBL30463248 0.95 FOLH1 (0.46) FOLH1SIRT5IL23RGNPATFNTA
SCHEMBL30463240 0.94 SIRT5 (0.51) SIRT5SIRT6SIRT1IL23RRXFP1
SCHEMBL30463245 0.94 SIRT5 (0.51) SIRT5SIRT6SIRT1IL23RRXFP1
SCHEMBL31157691 0.94 SIRT5 (0.51) SIRT5SIRT6SIRT1IL23RRXFP1
SCHEMBL31157731 0.94 SIRT5 (0.51) SIRT5SIRT6SIRT1IL23RRXFP1
SCHEMBL29660264 0.93 GNPAT (0.45) FOLH1SIRT5IL23RGNPATTFPI
SCHEMBL30463272 0.92 FNTA (0.45) FOLH1SIRT5IL23RGNPATFNTA
SCHEMBL31157741 0.92 SIRT5 (0.46) SIRT5SIRT6SIRT1IL23RRXFP1

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
EP-3548510-B1 COMPOUNDS USEFUL FOR THE TREATMENT AND/OR CARE OF THE SKIN, HAIR, NAILS AND/OR MUCOUS MEMBRANES LUBRIZOL ADVANCED MAT INC (US) 2024-10-02 EP disclosed