SCHEMBL8028384

SCHEMBL8028384

CCC(I)(C(N)=O)c1ccc(O)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 11/20 0.48
ESR2 Q92731 9/20 0.48
CYP3A4 P08684 3/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.39
TYR P14679 1/20 0.39
AR P10275 1/20 0.39
HPGD P15428 1/20 0.39
TSHR P16473 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
HTR6 P50406 1/20 0.39
ESRRG P62508 1/20 0.39
SLC6A3 Q01959 1/20 0.39
HSD17B10 Q99714 1/20 0.39
BLM P54132 2/20 0.38
CA2 P00918 2/20 0.38
MPO P05164 1/20 0.38
KDM5A P29375 1/20 0.38
GFER P55789 1/20 0.38

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
SCHEMBL30954170 0.76 ESR1 (0.50) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL12640841 0.71 ESR1 (0.60) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL9854654 0.70 ESR1 (0.55) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL2005568 0.70 ESR1 (0.52) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL19457909 0.70 ESR1 (0.58) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL3135954 0.70 MAPT (0.65) ESR1ESR2CYP3A4ALDH1A1LMNA
Propionamide SCHEMBL7592045 0.69 LMNA (0.64) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL8727581 0.69 ESR1 (0.42) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL6135763 0.69 ESR1 (0.62) ESR1ESR2CYP3A4ALDH1A1LMNA
SCHEMBL3167604 0.68 ESR1 (0.50) ESR1ESR2CYP3A4ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2000077520-A1 LABELLING OF PEPTIDES AND PROTEINS PROTEOSYS AG (DE) 2000-12-21 WO claimed
CN-115515928-B Method for analyzing polysulfide, method for inhibiting hydrolysis of polysulfide, and use of N-iodoacetyl-L-tyrosine methyl ester 公立大学法人大阪 2024-05-10 CN disclosed
CN-117980737-A Identification method of active sulfur 公立大学法人大阪 2024-05-03 CN disclosed
US-20240084342-A1 CYSTEINE POLYSULFIDATION AND MITOCHONDRIAL BIOENERGETICS REGULATED BY CYSTEINYL-tRNA SYNTHETASE TOHOKU UNIVERSITY (JP) 2024-03-14 US disclosed
CN-117589892-A Method for quantitative determination of active sulfur 株式会社岛津制作所 2024-02-23 CN disclosed
CN-117586160-A Sulfur-containing prodrug compound and medical application thereof 中国药科大学 2024-02-23 CN disclosed
CN-117567337-A Sulfur-containing 5-aminosalicylic acid prodrug and application thereof 中国药科大学 2024-02-20 CN disclosed
CN-117337391-A Biomarkers for infectious diseases 国立大学法人东北大学 2024-01-02 CN disclosed
EP-4112597-A1 STABILIZATION OF POLYSULFIDE University Public Corporation Osaka (JP) 2023-01-04 EP disclosed
CN-115515928-A Stabilization of polysulfides 公立大学法人大阪 2022-12-23 CN disclosed
WO-2021054149-A1 AGENT FOR RAISING IN VIVO CONCENTRATION OF ACTIVE SULFUR MOLECULAR SPECIES 国立大学法人 熊本大学 2021-03-25 WO disclosed
US-20200270655-A1 CYSTEINE POLYSULFIDATION AND MITOCHONDRIAL BIOENERGETICS REGULATED BY CYSTEINYL-tRNA SYNTHETASE AKAIKE, TAKAAKI (JP) 2020-08-27 US disclosed
WO-2000077520-A1 LABELLING OF PEPTIDES AND PROTEINS PROTEOSYS AG (DE) 2000-12-21 WO disclosed