SCHEMBL1039938

SCHEMBL1039938

CCc1nc(-c2ccc(OC)cc2)nn1CCC(C)(C)NC(=O)OC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CTSL P07711 2/20 0.43
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
TGM2 P21980 1/20 0.39
TGM1 P22735 1/20 0.39
CASP3 P42574 1/20 0.39
TGM3 Q08188 1/20 0.39
KMT2A Q03164 3/20 0.39
MAPT P10636 2/20 0.39
RAB9A P51151 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
BRD4 O60885 1/20 0.39
LATS1 O95835 1/20 0.38
TUBB4A P04350 1/20 0.38
TUBB P07437 1/20 0.38
TUBA3C P0DPH7 1/20 0.38
TUBA1B P68363 1/20 0.38
TUBA4A P68366 1/20 0.38

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
SCHEMBL4016346 0.89 CASP3 (0.43) HSD17B10CYP1A2CYP2C9CYP2C19TGM2
SCHEMBL5708297 0.78 LATS1 (0.41) MAPTRAB9ASMN1; SMN2BRD4LATS1
SCHEMBL3049169 0.77 HSD17B10 (0.41) HSD17B10CYP1A2CYP2C9CYP2C19TGM2
SCHEMBL1040782 0.76 LATS1 (0.42) MAPTRAB9ASMN1; SMN2BRD4LATS1
SCHEMBL1040926 0.76 LATS1 (0.40) CYP2C9KMT2AMAPTRAB9ASMN1; SMN2
SCHEMBL3049884 0.71 GRM5 (0.38) RAB9ABRD4LATS1
SCHEMBL1039822 0.70 LATS1 (0.36) BRD4LATS1
SCHEMBL4014493 0.70 ADRB2 (0.49) CYP1A2
SCHEMBL14289636 0.67 LATS1 (0.45) LATS1KDM4EMAPK1LMNA
SCHEMBL7078636 0.66 BRD9 (0.48) HSD17B10CYP1A2CYP2C9SMN1; SMN2KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1853596-B1 NOVEL, LONG-ACTING BETAMIMETICS FOR TREATING RESPIRATORY DISEASES BOEHRINGER INGELHEIM INT (DE) 2011-01-26 EP disclosed
EP-1720546-B1 NOVEL, SUSTAINED-ACTION BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INT (DE) 2010-09-01 EP disclosed
EP-2057152-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION Boehringer Ingelheim International GmbH (DE) 2009-05-13 EP disclosed
EP-2051714-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES Boehringer Ingelheim International GmbH (DE) 2009-04-29 EP disclosed
WO-2008017637-A1 DRUG COMBINATIONS FOR THE TREATMENT OF RESPIRATORY TRACT DISEASES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO disclosed
WO-2008017638-A1 SINGLE ENANTIOMER BETA-AGONISTS, METHODS FOR THE PRODUCTION THEREOF AND THE USE THEREOF AS MEDICATION BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2008-02-14 WO disclosed
EP-1720546-A1 NOVEL, SUSTAINED-ACTION BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS Boehringer Ingelheim International GmbH (DE) 2006-11-15 EP disclosed
EP-1706389-A1 3-HYDROXYMETHYL-4-HYDROXY-PHENYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY ILLNESSES Boehringer Ingelheim International GmbH (DE) 2006-10-04 EP disclosed
WO-2005077361-A1 NOVEL, SUSTAINED-ACTION BETA-2-AGONISTS AND THEIR USE AS MEDICAMENTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-08-25 WO disclosed
WO-2005066140-A1 3-HYDROXYMETHYL-4-HYDROXY-PHENYL DERIVATIVES FOR THE TREATMENT OF RESPIRATORY ILLNESSES BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2005-07-21 WO disclosed