SCHEMBL12656116

SCHEMBL12656116

CC(C)(C)OC(=O)[C@@H](Cc1ccc(O)cc1)C[C@H](N)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SLC7A5 Q01650 2/20 0.46
▸ TAAR1 Q96RJ0 3/20 0.42
▸ SLC6A2 P23975 1/20 0.42
▸ CTSS P25774 1/20 0.42
▸ CTSK P43235 1/20 0.42
▸ ESR1 P03372 3/20 0.41
▸ ESR2 Q92731 2/20 0.41
▸ LY96 Q9Y6Y9 1/20 0.40
▸ SLC1A3 P43003 1/20 0.40
▸ SLC1A2 P43004 1/20 0.40
▸ SLC1A1 P43005 1/20 0.40
▸ LTA4H P09960 1/20 0.38
▸ BLM P54132 1/20 0.38
▸ HDAC8 Q9BY41 1/20 0.37

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
SCHEMBL13726229 1.00 SLC7A5 (0.46) SLC7A5TAAR1SLC6A2CTSSCTSK
SCHEMBL13726226 1.00 SLC7A5 (0.46) SLC7A5TAAR1SLC6A2CTSSCTSK
SCHEMBL7464405 0.87 SLC7A5 (0.57) SLC7A5TAAR1SLC6A2CTSSCTSK
SCHEMBL630703 0.87 SLC7A5 (0.57) SLC7A5TAAR1SLC6A2CTSSCTSK
SCHEMBL594571 0.87 SLC7A5 (0.57) SLC7A5TAAR1SLC6A2CTSSCTSK
Hydrochloric Acid SCHEMBL7687022 0.85 SLC7A5 (0.56) SLC7A5TAAR1SLC6A2CTSSCTSK
Hydrochloric Acid SCHEMBL4422991 0.85 SLC7A5 (0.56) SLC7A5TAAR1SLC6A2CTSSCTSK
Hydrochloric Acid SCHEMBL27704336 0.85 SLC7A5 (0.56) SLC7A5TAAR1SLC6A2CTSSCTSK
SCHEMBL12656179 0.83 LTA4H (0.60) SLC1A3SLC1A2SLC1A1LTA4H
SCHEMBL11471848 0.83 SLC7A5 (0.54) SLC7A5TAAR1SLC6A2CTSSCTSK

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-2011061154-A1 IODINE-LABELED HOMOGLUTAMIC ACID AND GLUTAMIC ACID DERIVATIVES BAYER SCHERING PHARMA AKTIENGESELLSCHAFT (DE) 2011-05-26 — — WO disclosed
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