SCHEMBL17151809

SCHEMBL17151809

C[C@](N)(Cc1cc(Br)cc(CF)c1)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 3/20 0.49
▸ BLM P54132 2/20 0.49
▸ KDM4E B2RXH2 2/20 0.49
▸ ALDH1A1 P00352 2/20 0.49
▸ POLB P06746 2/20 0.49
▸ CYP3A4 P08684 2/20 0.49
▸ MAPT P10636 2/20 0.49
▸ HPGD P15428 2/20 0.49
▸ ALOX15 P16050 2/20 0.49
▸ HSD17B10 Q99714 2/20 0.49
▸ TDP1 Q9NUW8 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ USP2 O75604 1/20 0.49
▸ EGFR P00533 1/20 0.49
▸ FYN P06241 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ APEX1 P27695 1/20 0.49
▸ ADRA1A P35348 1/20 0.49
▸ PTGS2 P35354 1/20 0.49
▸ MTOR P42345 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
SCHEMBL17151931 0.88 BLM (0.47) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL17151959 0.84 CYP1A2 (0.49) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL10680474 0.76 BLM (0.58) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL6339842 0.76 BLM (0.58) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL6339840 0.76 BLM (0.58) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL1750376 0.75 BLM (0.71) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL12530276 0.75 BLM (0.71) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL17151960 0.75 CYP1A2 (0.56) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL17151957 0.75 CYP1A2 (0.56) CYP1A2BLMKDM4EALDH1A1POLB
SCHEMBL17151958 0.75 CYP1A2 (0.49) CYP1A2BLMKDM4EALDH1A1POLB

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-2015152128-A1 AMINO ACID PRECURSOR, AMINO ACID, AND PRODUCTION METHOD FOR AMINO ACID, AND PET DIAGNOSTIC TRACER USING AMINO ACID 長瀬産業株式会社 2015-10-08 — — WO disclosed
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