SCHEMBL29022110

SCHEMBL29022110

CC1(C)OCCC(C2OC(=O)C(O)=C2OCc2ccccc2)O1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
CTSK P43235 1/20 0.34
CTSC P53634 1/20 0.34
CTSF Q9UBX1 1/20 0.34
HPSE Q9Y251 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
MAOB P27338 3/20 0.33
GRM5 P41594 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
SIRT1 Q96EB6 1/20 0.33

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
SCHEMBL29022107 1.00 CTSV (0.34) CTSVCTSLCTSBCTSSCTSK
SCHEMBL886854 0.89 TMEM97 (0.38) CTSVCTSLCTSBCTSSCTSK
SCHEMBL6851717 0.89 TMEM97 (0.38) CTSVCTSLCTSBCTSSCTSK
SCHEMBL29022052 0.78 SMYD2 (0.32)
SCHEMBL29022053 0.78 SMYD2 (0.32)
SCHEMBL13013398 0.77 TMEM97 (0.37) CTSVCTSLCTSBCTSSCTSK
SCHEMBL10703049 0.77 TMEM97 (0.37) CTSVCTSLCTSBCTSSCTSK
SCHEMBL8539003 0.77 TMEM97 (0.37) CTSVCTSLCTSBCTSSCTSK
SCHEMBL10959545 0.77 MAOB (0.41) MEN1KMT2AOPRM1OPRD1MAOB
SCHEMBL17068318 0.76 TMEM97 (0.36) CTSVCTSLCTSBCTSSCTSK

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
CN-116284162-A Synthesis and preparation method of lycium barbarum acid 宁夏农林科学院农业资源与环境研究所(宁夏土壤与植物营养重点实验室) 2023-06-23 CN disclosed