SCHEMBL29211013

SCHEMBL29211013

CCCCCCCCCCCCCCCCCCc1cc(C=O)cc(CCCCCCCCCCCCCCCCCC)c1CCCCCCCCCCCCCCCCCC

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
TYR P14679 2/20 0.40
TSHR P16473 2/20 0.40
MEN1 O00255 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALOX5 P09917 1/20 0.40
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
LIPG Q9Y5X9 1/20 0.37
GPR84 Q9NQS5 8/20 0.37
CYP19A1 P11511 1/20 0.37
PTGS2 P35354 1/20 0.36

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
SCHEMBL12802598 0.81 ALOX5 (0.40) TYRTSHRMEN1TP53CYP3A4
SCHEMBL28228167 0.80 TSHR (0.46) HIF1AEPAS1TYRTSHRMEN1
SCHEMBL5077090 0.80 TSHR (0.46) HIF1AEPAS1TYRTSHRMEN1
SCHEMBL12802145 0.79 CYP19A1 (0.38) TYRTSHRMEN1TP53CYP3A4
SCHEMBL1187863 0.79 GPR84 (0.51) TYRTSHRMEN1TP53CYP3A4
SCHEMBL27967217 0.79 GPR84 (0.51) TYRTSHRMEN1TP53CYP3A4
SCHEMBL36212 0.77 TSHR (0.44) HIF1AEPAS1TYRTSHRMEN1
SCHEMBL29818830 0.77 HIF1A (0.41) HIF1AEPAS1TYRTSHRMEN1
SCHEMBL29818660 0.77 HIF1A (0.41) HIF1AEPAS1TYRTSHRMEN1
SCHEMBL7190150 0.77 ALOX5 (0.50) TSHRALOX5TDP1GPR84PTGS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118108794-A Synthesis method of flaxseed cyclic peptide 润辉生物技术(威海)有限公司 2024-05-31 CN claimed
CN-118006700-A Synthesis method of radix pseudostellariae cyclic peptide B 润辉生物技术(威海)有限公司 2024-05-10 CN claimed
CN-118108794-A Synthesis method of flaxseed cyclic peptide 润辉生物技术(威海)有限公司 2024-05-31 CN disclosed
CN-118006700-A Synthesis method of radix pseudostellariae cyclic peptide B 润辉生物技术(威海)有限公司 2024-05-10 CN disclosed