SCHEMBL28768020

SCHEMBL28768020

CC(C)(C)c1ccc(CC2=NCCO2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR1D P28221 3/20 0.50
▸ ADRA1A P35348 3/20 0.50
▸ ADRA2A P08913 2/20 0.50
▸ ADRA2B P18089 2/20 0.50
▸ ADRA2C P18825 2/20 0.50
▸ ADRA1D P25100 2/20 0.50
▸ HTR1B P28222 2/20 0.50
▸ ADRA1B P35368 2/20 0.50
▸ SIGMAR1 Q99720 3/20 0.38
▸ COPS5 Q92905 1/20 0.37
▸ KCNH2 Q12809 2/20 0.37
▸ TP53 P04637 3/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.36
▸ NISCH Q9Y2I1 1/20 0.36
▸ KCNN4 O15554 1/20 0.34
▸ LMNA P02545 2/20 0.34
▸ HTT P42858 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL29226412 0.83 TAAR1 (0.38) NISCHKCNN4ALDH1A1
SCHEMBL28759506 0.81 MAOA (0.35) ADRA1AADRA2ASMN1; SMN2LMNAHTT
SCHEMBL4335321 0.77 HTR1D (0.46) HTR1DLMNAALDH1A1
SCHEMBL29226442 0.77 IDO1 (0.34) TP53SMN1; SMN2LMNAALDH1A1TSHR
SCHEMBL2042815 0.77 ADRA2A (0.43) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL27633073 0.77 LTA4H (0.46) SMN1; SMN2LMNAALDH1A1POLBTSHR
Hydrochloric Acid SCHEMBL28113238 0.75 TAAR1 (0.44) ADRA1AADRA2AADRA2BADRA2CADRA1D
SCHEMBL13863533 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL29227038 0.71 POLB (0.50) KCNH2SMN1; SMN2LMNAALDH1A1POLB
SCHEMBL329002 0.71 ADRA2A (0.34) ADRA1AADRA2AADRA2BADRA2CNISCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114522180-B Application of polypeptide polymer or polypeptide mimic in aquaculture 华东理工大学 2024-09-17 — — CN disclosed
WO-2022105837-A1 APPLICATION OF AMINO ACID POLYMER OR PEPTIDOMIMETIC POLYMER IN BREEDING INDUSTRY 华东理工大学 2022-05-27 — — WO disclosed
CN-114522180-A Use of polypeptide polymers or peptide mimetics in the breeding industry 华东理工大学 2022-05-24 — — CN disclosed
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