SCHEMBL1163359

SCHEMBL1163359

C[C@H](N)C(=O)Oc1ccccc1C=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SRC P12931 3/20 0.50
▸ PTGDR2 Q9Y5Y4 1/20 0.47
▸ ALDH1A1 P00352 5/20 0.47
▸ HPGD P15428 1/20 0.47
▸ HTT P42858 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ LMNA P02545 3/20 0.44
▸ KMT2A Q03164 3/20 0.44
▸ GAA P10253 1/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.42
▸ TLR2 O60603 1/20 0.42
▸ ERN1 O75460 1/20 0.42
▸ TLR1 Q15399 1/20 0.42
▸ TLR6 Q9Y2C9 1/20 0.42
▸ ADRA2A P08913 1/20 0.40
▸ ADRA2B P18089 1/20 0.40
▸ ADRA2C P18825 1/20 0.40

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
SCHEMBL12966357 1.00 SRC (0.50) SRCPTGDR2ALDH1A1HPGDHTT
SCHEMBL11193657 0.86 ALDH1A1 (0.50) SRCPTGDR2ALDH1A1HPGDHTT
SCHEMBL8035805 0.80 PTGDR2 (0.49) SRCPTGDR2ALDH1A1HPGDHTT
SCHEMBL17727042 0.79 ENPP2 (0.48) ALDH1A1HPGDHTTLMNAKMT2A
SCHEMBL28646859 0.79 PTGDR2 (0.47) SRCPTGDR2ALDH1A1HPGDHTT
SCHEMBL28426584 0.79 PTGDR2 (0.47) SRCPTGDR2ALDH1A1HPGDHTT
SCHEMBL8399530 0.79 CA1 (0.45) ALDH1A1HPGDHTTSMN1; SMN2LMNA
SCHEMBL3199566 0.79 KMT2A (0.51) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL7976424 0.79 KMT2A (0.51) ALDH1A1HTTSMN1; SMN2LMNAKMT2A
SCHEMBL5058437 0.79 TDP1 (0.46) ALDH1A1HPGDHTTKMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101967159-A Amino acid Schiff base ligand-containing vanadium oxide compound UNIV LIAONING NORMAL 2011-02-09 — — CN claimed
CN-117586336-A Synthesis method and application of difficult polypeptide 山东大学 2024-02-23 — — CN disclosed
US-8859730-B2 Native chemical ligation at serine and threonine sites SUZHOU NEXTIDE BIOTECH CO., LTD. (CN) 2014-10-14 — — US disclosed
US-20120253011-A1 Native Chemical Ligation at Serine and Threonine Sites SUZHOU NEXTIDE BIOTECH CO., LTD. (CN) 2012-10-04 — — US disclosed
WO-2011017837-A1 NATIVE CHEMICAL LIGATION AT SERINE AND THREONINE SITES LI XUECHEN (CN) 2011-02-17 — — WO disclosed
CN-101967159-A Amino acid Schiff base ligand-containing vanadium oxide compound UNIV LIAONING NORMAL 2011-02-09 — — CN disclosed
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