SCHEMBL57650

SCHEMBL57650

NC(=O)c1ccc2c(c1)OCO2

nearest known ligand 0.79

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.79
ALDH1A1 P00352 5/20 0.69
MAPK1 P28482 1/20 0.69
NPC1 O15118 7/20 0.69
RAB9A P51151 7/20 0.69
SMN1; SMN2 Q16637 4/20 0.69
CASP3 P42574 1/20 0.69
SENP7 Q9BQF6 1/20 0.69
SRD5A2 P31213 1/20 0.61
MEN1 O00255 2/20 0.59
KMT2A Q03164 2/20 0.59
HPGD P15428 3/20 0.57
MAPT P10636 3/20 0.57
PKM P14618 2/20 0.57
NFKB1 P19838 1/20 0.57
NFKB2 Q00653 1/20 0.57
RELA Q04206 1/20 0.57
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56

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
Hydrochloric Acid SCHEMBL5013416 0.98 TSHR (0.76) TSHRALDH1A1MAPK1NPC1RAB9A
Hydrochloric Acid SCHEMBL30589973 0.98 TSHR (0.76) TSHRALDH1A1MAPK1NPC1RAB9A
Ethylene Glycol SCHEMBL8202454 0.93 TSHR (0.69) TSHRALDH1A1MAPK1NPC1RAB9A
SCHEMBL19127455 0.93 TSHR (0.69) TSHRALDH1A1MAPK1NPC1RAB9A
SCHEMBL19127456 0.93 TSHR (0.69) TSHRALDH1A1MAPK1NPC1RAB9A
Acetic Acid SCHEMBL28970013 0.93 TSHR (0.69) TSHRALDH1A1MAPK1NPC1RAB9A
Propane SCHEMBL7392630 0.93 TSHR (0.69) TSHRALDH1A1MAPK1NPC1RAB9A
Propane SCHEMBL7386413 0.91 TSHR (0.67) TSHRALDH1A1MAPK1NPC1RAB9A
Benzoic Acid SCHEMBL28925910 0.88 ALDH1A1 (0.70) TSHRALDH1A1MAPK1NPC1RAB9A
SCHEMBL624490 0.88 TSHR (1.00) TSHRMAPK1NPC1RAB9ASMN1; SMN2

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 1523 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3728234-B1 RADIOLABELED COMPOUNDS HOFFMANN LA ROCHE (CH) 2025-05-14 EP claimed
US-20250145472-A1 METHOD FOR GENERATING CARBON DIOXIDE KOBE GAKUIN EDUCATIONAL FOUNDATION (JP) 2025-05-08 US claimed
EP-4507522-A1 TASTE MODIFYING COMPOSITIONS AND USES THEREOF Firmenich SA (CH) 2025-02-19 EP claimed
WO-2025008783-A1 PHARMACEUTICAL COMPOSITION COMPRISING 1,3-BENZODIOXOLE DERIVATIVE COMPOUND 동화약품주식회사 2025-01-09 WO claimed
EP-4480568-A1 METHOD FOR GENERATING CARBON DIOXIDE Kobe Gakuin Educational Foundation (JP) 2024-12-25 EP claimed
CN-118541367-A 1, 3-Benzodioxole derivative compound and pharmaceutical composition containing same 同和药品株式会社 2024-08-23 CN claimed
CN-118530208-A Piper-amid compounds and application thereof 扬州大学 2024-08-23 CN claimed
CN-118201612-A Compositions and methods for combination therapy for the treatment of lymphomas 上海睿跃生物科技有限公司 2024-06-14 CN claimed
CN-117794896-A Protease inhibitors for the treatment of coronavirus infections 斯克里普斯研究学院 2024-03-29 CN claimed
WO-2023247332-A1 TASTE MODIFYING COMPOSITIONS AND USES THEREOF FIRMENICH SA (CH) 2023-12-28 WO claimed
EP-0805799-A1 NOVEL SWEETENERS DERIVED FROM 3,4-DISUBSTITUTED $g(a)-BENZENEAMIDE N-(4-CYANOPHENYLCARBAMOYL OR 2-CYANOPYRID-5-YLCARBAMOYL)-L-ASPARTIC OR L-GLUTAMIC ACIDS UNIVERSITE CLAUDE BERNARD - LYON 1 (FR) 1997-11-12 EP claimed
WO-1997009051-A1 ANALOGS FOR SPECIFIC OLIGOSACCHARIDE-NEUREGULIN INTERACTIONS AND USES THEREOF CAMBRIDGE NEUROSCIENCE, INC. (US) 1997-03-13 WO claimed
US-5371247-A Preparation of substituted ethenes FINE ORGANICS LIMITED (GB) 1994-12-06 US claimed
EP-0466733-B1 PREPARATION OF SUBSTITUTED ETHENES FINE ORGANICS LTD (GB) 1994-08-17 EP claimed
EP-0466733-A1 PREPARATION OF SUBSTITUTED ETHENES. FINE ORGANICS LTD (GB) 1992-01-22 EP claimed
US-5030738-A Synthesis of antiulcer compounds JANUS FARMACEUTICI S.R.L. (IT) 1991-07-09 US claimed
WO-1990012002-A1 PREPARATION OF SUBSTITUTED ETHENES FINE ORGANICS LIMITED (GB) 1990-10-18 WO claimed
EP-0269650-A1 SYNTHESIS OF ANTIULCER COMPOUNDS RECORDATI FARMA SRL (IT) 1988-06-08 EP claimed
WO-1987005902-A1 SYNTHESIS OF ANTIULCER COMPOUNDS RECORDATI FARMA SRL (IT) 1987-10-08 WO claimed
US-4224416-A Degradable plastic composition containing amine OWENS-ILLINOIS, INC. (US) 1980-09-23 US claimed