SCHEMBL28577401

SCHEMBL28577401

COC(=O)C(Cc1ccc(O)c(I)c1)NC(=O)OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.56
ALOX15 P16050 1/20 0.56
KYNU Q16719 1/20 0.52
CTSL P07711 3/20 0.52
CTSB P07858 3/20 0.52
CTSS P25774 3/20 0.52
TYR P14679 1/20 0.52
CTSK P43235 2/20 0.51
CYP3A4 P08684 3/20 0.51
TSHR P16473 3/20 0.51
MEN1 O00255 1/20 0.51
MAPT P10636 1/20 0.51
KMT2A Q03164 1/20 0.51
FOLH1 Q04609 1/20 0.50
TACR1 P25103 2/20 0.49
MDM4 O15151 1/20 0.49
MDM2 Q00987 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
SCHEMBL28577399 1.00 ALDH1A1 (0.56) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL8586541 0.91 FOLH1 (0.58) CTSLCTSBCTSSTYRCTSK
SCHEMBL2947377 0.90 LCK (0.61) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL28581890 0.89 CTSL (0.48) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL28581893 0.89 CTSL (0.48) ALDH1A1ALOX15CTSLCTSBCTSS
SCHEMBL28586890 0.88 ALDH1A1 (0.57) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL2402472 0.88 ALDH1A1 (0.57) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL5162574 0.86 ALDH1A1 (0.56) ALDH1A1ALOX15KYNUCTSLCTSB
SCHEMBL7248062 0.85 TYR (0.49) ALDH1A1CTSLCTSBCTSSTYR
SCHEMBL31628222 0.85 ALDH1A1 (0.57) ALDH1A1ALOX15KYNUCTSLCTSB

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
CN-109704996-B Method for preparing 3-halogenated-N-protected-L-tyrosine methyl ester 安阳工学院 2021-06-08 CN disclosed
CN-109704983-B Method for synthesizing 3-iodine-N-protected-L-tyrosine methyl ester by removing MOM protection 安阳工学院 2021-06-04 CN disclosed