SCHEMBL27620508

SCHEMBL27620508

O=C(NC(CSCc1ccccc1)C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ SLC17A5 Q9NRA2 1/20 0.61
▸ PPARA Q07869 6/20 0.58
▸ PPARG P37231 4/20 0.58
▸ MDM4 O15151 2/20 0.54
▸ TP53 P04637 2/20 0.54
▸ PPARD Q03181 2/20 0.50
▸ CASP3 P42574 2/20 0.49
▸ ACE P12821 1/20 0.49

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
SCHEMBL29401307 1.00 SLC17A5 (0.61) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL29908094 1.00 SLC17A5 (0.61) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL119188 1.00 SLC17A5 (0.61) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL29594267 0.93 SLC17A5 (0.57) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL16634948 0.93 SLC17A5 (0.57) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL1738379 0.91 PPARA (0.56) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL28857934 0.91 PPARA (0.56) SLC17A5PPARAPPARGMDM4TP53
SCHEMBL19888241 0.88 SLC17A5 (0.58) SLC17A5MDM4TP53CASP3
SCHEMBL1486194 0.87 SLC17A5 (0.58) SLC17A5MDM4TP53CASP3
SCHEMBL29398108 0.87 SLC17A5 (0.58) SLC17A5MDM4TP53CASP3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-115053184-A Composition for forming EUV resist underlayer film 日产化学株式会社 2022-09-13 — — CN disclosed
CN-112986440-A Detection method of Fmoc-Cys (trt) -OH related substances 吉尔多肽生物制药(大连市)有限公司 2021-06-18 — — CN disclosed
CN-1741808-A Peptides which inhibit angiogenesis, cell migration, cell invasion and cell proliferation, compositions and uses thereof ATTENUON LLC (US) 2006-03-01 — — CN disclosed
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