SCHEMBL30393072

SCHEMBL30393072

CC(C)(C)OC(=O)CCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.51
▸ MDM2 Q00987 3/20 0.51
▸ MDM4 O15151 2/20 0.48
▸ TP53 P04637 2/20 0.48
▸ TLR2 O60603 2/20 0.47
▸ PPARG P37231 3/20 0.46
▸ PPARA Q07869 3/20 0.46
▸ PPARD Q03181 2/20 0.45
▸ CASP3 P42574 1/20 0.44
▸ TNF P01375 2/20 0.43

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
SCHEMBL5056933 1.00 SLC17A5 (0.51) SLC17A5MDM2MDM4TP53TLR2
SCHEMBL5056936 1.00 SLC17A5 (0.51) SLC17A5MDM2MDM4TP53TLR2
SCHEMBL17079665 0.94 SLC17A5 (0.53) SLC17A5MDM2MDM4TP53TLR2
SCHEMBL9514163 0.93 PPARG (0.51) SLC17A5MDM2MDM4TP53TLR2
SCHEMBL17079649 0.89 SLC17A5 (0.55) SLC17A5MDM2MDM4TP53TLR2
SCHEMBL29456972 0.89 SLC17A5 (0.51) SLC17A5MDM2MDM4TP53TLR2
SCHEMBL5060916 0.89 SMN1; SMN2 (0.46) SLC17A5MDM2MDM4TP53CASP3
SCHEMBL5274394 0.89 SMN1; SMN2 (0.46) SLC17A5MDM2MDM4TP53CASP3
SCHEMBL5060915 0.89 SMN1; SMN2 (0.46) SLC17A5MDM2MDM4TP53CASP3
SCHEMBL5416534 0.88 SLC17A5 (0.51) SLC17A5MDM2MDM4TP53TLR2

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
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 — — WO disclosed
Send feedback