SCHEMBL21068068

SCHEMBL21068068

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

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GRB2 P62993 1/20 0.71
▸ SLC7A5 Q01650 3/20 0.62
▸ PTGS1 P23219 3/20 0.61
▸ ALPI P09923 1/20 0.61
▸ PKM P14618 1/20 0.61
▸ XIAP P98170 1/20 0.61
▸ PTPN1 P18031 2/20 0.60
▸ HIF1A Q16665 5/20 0.53
▸ ALOX15 P16050 3/20 0.53
▸ KDM4E B2RXH2 2/20 0.53
▸ TDP1 Q9NUW8 2/20 0.53
▸ HSD17B10 Q99714 2/20 0.53
▸ USP2 O75604 1/20 0.53
▸ EGFR P00533 1/20 0.53
▸ LCK P06239 1/20 0.53
▸ FYN P06241 1/20 0.53
▸ ADORA3 P0DMS8 1/20 0.53
▸ HTR2A P28223 1/20 0.53
▸ PTGS2 P35354 1/20 0.53
▸ RECQL P46063 1/20 0.53

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
SCHEMBL21068070 1.00 GRB2 (0.71) GRB2SLC7A5PTGS1ALPIPKM
SCHEMBL2310526 0.84 SLC7A5 (0.83) GRB2SLC7A5PTGS1ALPIPKM
SCHEMBL5803441 0.83 SLC7A5 (0.59) GRB2SLC7A5PTGS1ALPIPKM
SCHEMBL740393 0.83 GRB2 (1.00) GRB2SLC7A5PTGS1ALPIPKM
SCHEMBL148122 0.82 GRB2 (0.76) GRB2SLC7A5PTGS1ALPIPKM
SCHEMBL43861 0.82 GRB2 (0.76) GRB2SLC7A5PTGS1ALPIPKM
SCHEMBL43862 0.82 GRB2 (0.76) GRB2SLC7A5PTGS1ALPIPKM
SCHEMBL43852 0.81 SLC7A5 (0.71) GRB2SLC7A5PTGS1ALPIPKM
SCHEMBL43851 0.81 SLC7A5 (0.71) GRB2SLC7A5PTGS1ALPIPKM
SCHEMBL288375 0.81 SLC7A5 (0.71) GRB2SLC7A5PTGS1ALPIPKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11446398-B2 Regulated biocircuit systems OBSIDIAN THERAPEUTICS, INC. (US) 2022-09-20 — — US disclosed
US-20190192691-A1 REGULATED BIOCIRCUIT SYSTEMS OBSIDIAN THERAPEUTICS, INC. 2019-06-27 — — US disclosed
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