SCHEMBL248294

SCHEMBL248294

O=C(OO)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.64
CES1 P23141 2/20 0.63
CA1 P00915 2/20 0.61
CA2 P00918 2/20 0.61
TDP1 Q9NUW8 1/20 0.61
ALDH1A1 P00352 2/20 0.59
MAPK1 P28482 1/20 0.59
LMNA P02545 1/20 0.58
GAA P10253 1/20 0.58
KMT2A Q03164 4/20 0.57
PKM P14618 1/20 0.57
POLB P06746 1/20 0.57
MEN1 O00255 3/20 0.56
PTPN2 P17706 1/20 0.56
PTPN1 P18031 1/20 0.56
CES2 O00748 1/20 0.55
SRD5A2 P31213 1/20 0.55
GSK3B P49841 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
KDM4E B2RXH2 1/20 0.51

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
SCHEMBL27459060 0.90 CES1 (0.65) TSHRCES1CA1CA2TDP1
SCHEMBL1436249 0.85 CES1 (0.65) TSHRCES1CA1CA2TDP1
SCHEMBL254773 0.85 CES1 (0.65) TSHRCES1CA1CA2TDP1
SCHEMBL879403 0.82 ALDH1A1 (0.62) TSHRCES1CA1CA2TDP1
SCHEMBL514703 0.82 CES1 (0.61) TSHRCES1CA1CA2TDP1
SCHEMBL23037596 0.82 CES1 (0.61) TSHRCES1CA1CA2TDP1
SCHEMBL11455797 0.82 CES1 (0.61) TSHRCES1CA1CA2TDP1
SCHEMBL306161 0.82 POLB (0.81) TSHRCES1CA1CA2TDP1
SCHEMBL402230 0.82 TSHR (0.62) TSHRCES1CA1CA2TDP1
SCHEMBL27955099 0.82 CES1 (0.61) TSHRCES1CA1CA2TDP1

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 771 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119080732-A Industrial scale preparation method of urolithin compound 音芙医药科技(上海)有限公司 2024-12-06 CN claimed
CN-118580201-A Acid-degradable sulfite bio-based epoxy resin and preparation, degradation and recovery methods thereof 大连理工大学 2024-09-03 CN claimed
US-20240292726-A1 METHOD OF MANUFACTURING QLED DEVICE, QLED DEVICE, AND DISPLAY DEVICE TCL TECHNOLOGY GROUP CORPORATION (CN) 2024-08-29 US claimed
CN-118530277-A Cationic photopolymerization type phosphate alicyclic epoxy monomer and preparation method and application thereof 北京化工大学 2024-08-23 CN claimed
CN-118290510-A Preparation method of 25-hydroxycholesterol 浙江工业大学 2024-07-05 CN claimed
CN-118290820-A Preparation method and application of solid glass beads 万华化学(宁波)有限公司 2024-07-05 CN claimed
CN-118125965-A Synthesis method and application of aza spiro allyl alcohol 河北科技大学 2024-06-04 CN claimed
CN-118108742-A Synthesis method and application of azaspiro alcohol 河北科技大学 2024-05-31 CN claimed
CN-118108730-A Synthesis method of cephalotaxine E ring functional group 河北科技大学 2024-05-31 CN claimed
CN-117903065-A Synthesis method of 2-sulfonyl pyrimidine-4-carboxamide compound II 西北师范大学 2024-04-19 CN claimed
EP-0012674-B1 PROCESS FOR THE SYNTHESIS OF VINBLASTINE ANVAR Agence Nationale de Valorisation de la Recherche (FR) 1983-07-13 EP claimed
US-4285949-A CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS OMNICHEM SOCIETE ANONYME (BE) 1981-08-25 US claimed
US-4240920-A A SURFACTANT, A PEROXY BLEACH AND A PORPHINE BLEACH THE PROCTER & GAMBLE COMPANY (US) 1980-12-23 US claimed
US-4221660-A AROMATIC PERCARBOXYLIC ACID, FOR WATER SYSTEMS STERLING DRUG INC. (US) 1980-09-09 US claimed
EP-0003861-A1 Detergent bleach composition and process for removing stains from cotton fabrics THE PROCTER & GAMBLE COMPANY (US) 1979-09-05 EP claimed
US-4160787-A Process for extracting bitter flavoring principles from hops G.I.E. TEPRAL (FR) 1979-07-10 US claimed
US-4026798-A PROLONGING USE FMC CORPORATION (US) 1977-05-31 US claimed
US-4013575-A Dry cleaning with peracids FMC CORPORATION (US) 1977-03-22 US claimed
US-4011169-A USING AN ENZYME AND AMINATED POLYSACCHARIDE THE PROCTER & GAMBLE COMPANY (US) 1977-03-08 US claimed
US-4001131-A BLEACHING THE PROCTER & GAMBLE COMPANY (US) 1977-01-04 US claimed