SCHEMBL131382

SCHEMBL131382

COC(=O)c1cc(C(C)=O)ccc1OCc1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 2/20 0.55
SMPD1 P17405 1/20 0.54
HDAC1 Q13547 1/20 0.54
HDAC8 Q9BY41 1/20 0.54
HDAC6 Q9UBN7 1/20 0.54
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
MRGPRX4 Q96LA9 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.51
MAPT P10636 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
AKR1C3 P42330 1/20 0.51
AKR1C2 P52895 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
SCHEMBL6016752 0.94 HPGD (0.54) MAOBSMPD1HDAC1HDAC8HDAC6
SCHEMBL1646582 0.90 RXRA (0.56) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL17747123 0.89 MAOB (0.55) MAOBSMPD1HDAC1HDAC8HDAC6
SCHEMBL8641451 0.89 HPGD (0.57) MAOBSMPD1HDAC1HDAC8HDAC6
SCHEMBL13312278 0.89 MAOB (0.60) MAOBSMPD1HDAC1HDAC8HDAC6
SCHEMBL131229 0.87 FOLH1 (0.63) MAOBHPGDSMN1; SMN2NPC1RAB9A
SCHEMBL966146 0.87 MAOB (0.52) MAOBHPGDLMNASMN1; SMN2NPC1
SCHEMBL6687833 0.87 HDAC8 (0.73) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL10735495 0.87 SMN1; SMN2 (0.70) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL7178691 0.87 AKR1C3 (0.49) HPGDSMN1; SMN2NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116693406-B Preparation method of salbutamol sulfate 山东锐顺药业有限公司 2024-04-19 CN claimed
CN-116836069-B Preparation method of levosalbutamol hydrochloride 山东锐顺药业有限公司 2024-01-30 CN claimed
CN-116836069-A Preparation method of levosalbutamol hydrochloride 山东锐顺药业有限公司 2023-10-03 CN claimed
CN-116693406-A Preparation method of salbutamol sulfate 山东锐顺药业有限公司 2023-09-05 CN claimed
CN-116693406-B Preparation method of salbutamol sulfate 山东锐顺药业有限公司 2024-04-19 CN disclosed
CN-116693406-B Preparation method of salbutamol sulfate 山东锐顺药业有限公司 2024-04-19 CN disclosed
CN-116836069-B Preparation method of levosalbutamol hydrochloride 山东锐顺药业有限公司 2024-01-30 CN disclosed
CN-116836069-B Preparation method of levosalbutamol hydrochloride 山东锐顺药业有限公司 2024-01-30 CN disclosed
CN-116836069-A Preparation method of levosalbutamol hydrochloride 山东锐顺药业有限公司 2023-10-03 CN disclosed
CN-116836069-A Preparation method of levosalbutamol hydrochloride 山东锐顺药业有限公司 2023-10-03 CN disclosed
CN-116693406-A Preparation method of salbutamol sulfate 山东锐顺药业有限公司 2023-09-05 CN disclosed
CN-116693406-A Preparation method of salbutamol sulfate 山东锐顺药业有限公司 2023-09-05 CN disclosed
WO-1999066944-A1 METHODS FOR IDENTIFYING NOVEL MULTIMERIC AGENTS THAT MODULATE RECEPTORS ADVANCED MEDICINE, INC. (US) 1999-12-29 WO disclosed
WO-1999064035-A1 β2-ADRENERGIC RECEPTOR AGONISTS ADVANCED MEDICINE, INC. (US) 1999-12-16 WO disclosed
WO-1999048490-A1 ALLOSTERIC INHIBITORS AND ACTIVATORS OF PYRUVATE KINASE ALLOS THERAPEUTICS, INC. (US) 1999-09-30 WO disclosed
EP-0882707-A1 NOVEL TRICYCLIC COMPOUNDS AND DRUG COMPOSITIONS CONTAINING THE SAME Asahi Kasei Kogyo Kabushiki Kaisha (JP) 1998-12-09 EP disclosed
CN-1159797-A Aryloxy and arylthiopropanolamine derivative suseful as beta 3-adrenoreceptor agonists and antagonists of the beta 1 and beta 2-adrenoreceptors and pharmaceutical composition thereof SMITHKLINE BEECHAM PLC (GB) 1997-09-17 CN disclosed
EP-0772585-A1 ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1997-05-14 EP disclosed
US-5599974-A ALDEHYDE AND ACID CONTAINING COMPOUNDS BOND WITH VALINE, ARGININE, AND LYSINE OF HEMOGLOBIN MOLECULE TO MODIFY MOLECULE CENTER FOR INNOVATIVE TECHNOLOGY (US) 1997-02-04 US disclosed
WO-1996004233-A1 ARYLOXY AND ARYLTHIOPROPANOLAMINE DERIVATIVES USEFUL AS BETA 3-ADRENORECEPTOR AGONISTS AND ANTAGONISTS OF THE BETA 1 AND BETA 2-ADRENORECEPTORS AND PHARMACEUTICAL COMPOSITION THEREOF SMITHKLINE BEECHAM PLC (GB) 1996-02-15 WO disclosed