SCHEMBL7773473

SCHEMBL7773473

NCCOc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.72

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.72
▸ CYP19A1 P11511 6/20 0.66
▸ ESR1 P03372 5/20 0.66
▸ ESR2 Q92731 5/20 0.66
▸ PPARA Q07869 2/20 0.66
▸ TAAR1 Q96RJ0 1/20 0.62
▸ LMNA P02545 3/20 0.60
▸ L3MBTL1 Q9Y468 3/20 0.60
▸ MAPT P10636 2/20 0.60
▸ CYP3A4 P08684 1/20 0.60
▸ LTA4H P09960 3/20 0.59
▸ PLA2G2A P14555 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ PARP10 Q53GL7 1/20 0.59
▸ PKM P14618 1/20 0.58
▸ HRH4 Q9H3N8 1/20 0.55

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
SCHEMBL6321328 0.89 GAA (0.82) GAAPPARALMNAL3MBTL1MAPT
SCHEMBL11485988 0.87 PPARA (0.83) GAAPPARALMNAL3MBTL1MAPT
SCHEMBL4561660 0.87 GAA (0.79) GAAPPARALMNAL3MBTL1MAPT
Hydrochloric Acid SCHEMBL8444293 0.87 PPARA (0.68) GAAPPARALMNAL3MBTL1MAPT
SCHEMBL20806916 0.86 CYP19A1 (0.66) GAACYP19A1ESR1ESR2LMNA
SCHEMBL14366324 0.85 GAA (0.77) GAAPPARALMNAL3MBTL1MAPT
SCHEMBL2127341 0.85 PPARA (0.81) GAAPPARALMNAL3MBTL1MAPT
SCHEMBL20624042 0.85 PPARA (0.81) GAAPPARALMNAL3MBTL1MAPT
SCHEMBL6652325 0.85 PPARA (0.81) GAAPPARALMNAL3MBTL1MAPT
SCHEMBL7114335 0.85 PPARA (0.81) GAAPPARALMNAL3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0004334-B1 CARBAMATES AND THEIR PESTICIDAL COMPOSITIONS, PREPARATIONS THEREOF AND USE THEREOF AS PESTICIDES F. HOFFMANN-LA ROCHE & CO. Aktiengesellschaft (CH) 1981-10-21 — — EP claimed
CN-115960032-A Aryloxy propanol amine beta-adrenaline receptor ligand with beta-arrestin biased agonistic activity and application thereof 复旦大学 2023-04-14 — — CN disclosed
EP-0693488-B1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes LILLY CO ELI (US) 2001-09-19 — — EP disclosed
EP-0693488-A1 An improved process for preparing 3-(4-aminoethoxy-benzoyl)benzo beta -thiophenes ELI LILLY AND COMPANY (US) 1996-01-24 — — EP disclosed
US-4585693-A Polymer-bound ultraviolet stabilizer coating compositions containing cross linkers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1986-04-29 — — US disclosed
US-4495325-A Polymer-bound ultraviolet stabilizer coating compositions containing cross linkers E. I. DU PONT DE NEMOURS AND COMPANY (US) 1985-01-22 — — US disclosed
US-4215139-A PESTICIDES, INSECTICIDES HOFFMANN-LA ROCHE INC. (US) 1980-07-29 — — US disclosed
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