SCHEMBL7344971

SCHEMBL7344971

CCOP(O)OCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
ALDH1A1 P00352 6/20 0.42
IDO1 P14902 1/20 0.40
TP53 P04637 1/20 0.39
AGXT P21549 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
LMNA P02545 1/20 0.38
CYP1A2 P05177 1/20 0.38
PTGS1 P23219 1/20 0.38
CYP2C19 P33261 1/20 0.38
PTGS2 P35354 1/20 0.38
HIF1A Q16665 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
LIPE Q05469 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
MAPK1 P28482 2/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
TDP1 Q9NUW8 2/20 0.37

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
SCHEMBL28136776 0.93 ALDH1A1 (0.38) TSHRALDH1A1IDO1TP53AGXT
SCHEMBL51153 0.89 TSHR (0.52) TSHRALDH1A1IDO1AGXTSLC6A2
Hydrochloric Acid SCHEMBL27474797 0.87 TSHR (0.50) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL28006880 0.87 TSHR (0.50) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL15021274 0.87 TSHR (0.50) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL11519078 0.82 TSHR (0.49) TSHRALDH1A1SLC6A2SLC6A3LMNA
SCHEMBL673603 0.82 TSHR (0.44) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL26947534 0.80 IDO1 (0.45) TSHRALDH1A1IDO1AGXTSLC6A2
SCHEMBL28065470 0.79 LTA4H (0.39) TSHRALDH1A1IDO1LMNARAB9A
SCHEMBL1450921 0.79 TSHR (0.46) TSHRALDH1A1IDO1TP53AGXT

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
EP-0916679-B1 Benzazepinone-N-acetic acid derivatives having a phosphonic acid group, process for their preparation and medicaments containing these compounds SOLVAY PHARM GMBH (DE) 2002-11-20 EP disclosed
US-5952327-A NEUTRAL ENDOPEPTIDASE INHIBITORS; TREATMENT OF CARDIOVASCULAR DISORDERS SOLVAY PHARMACEUTICALS GMBH (DE) 1999-09-14 US disclosed
CN-1217334-A Phosphoric-acid substituted benzo-aza-tropone-N-acetic acid derivative, preparing method and medicine thereof SOLVAY MEDICINES AG (DE) 1999-05-26 CN disclosed
EP-0916679-A1 Benzazepinone-N-acetic acid derivatives having a phosphonic acid group, process for their preparation and medicaments containing these compounds Solvay Pharmaceuticals GmbH (DE) 1999-05-19 EP disclosed