SCHEMBL7315264

SCHEMBL7315264

CC(C)(C)OC(=O)NCC1=CC(c2ccccc2)Cc2c1ccc(OC(=O)C(C)(C)C)c2OC(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4A O75164 1/20 0.36
DRD2 P14416 4/20 0.35
NAMPT P43490 1/20 0.35
HDAC1 Q13547 1/20 0.33
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
ACACB O00763 3/20 0.32
ACACA Q13085 2/20 0.32
PDCD1 Q15116 1/20 0.32
CD274 Q9NZQ7 1/20 0.32
KDM4E B2RXH2 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
LMNA P02545 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
KMT2A Q03164 1/20 0.32
NCOA1 Q15788 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL7446408 0.90 DRD2 (0.35) KDM4ADRD2NAMPTHDAC1KDM1A
Hydrochloric Acid SCHEMBL7447474 0.89 DRD2 (0.35) KDM4ADRD2NAMPTHDAC1KDM1A
SCHEMBL7551271 0.85 DRD2 (0.33) KDM4ADRD2KDM1AMAOBACACB
SCHEMBL8829266 0.84 ELANE (0.34) L3MBTL1LMNAELANE
Hydrochloric Acid SCHEMBL7309711 0.84 ELANE (0.34) L3MBTL1LMNAELANE
SCHEMBL7447927 0.81 KMT2A (0.38) KMT2A
SCHEMBL7447921 0.81 KMT2A (0.38) KMT2A
SCHEMBL7312490 0.81 HDAC1 (0.41) KDM4ANAMPTHDAC1KDM1AMAOB
Hydrochloric Acid SCHEMBL7440751 0.80 KMT2A (0.37) KMT2A
SCHEMBL9802835 0.79 HDAC1 (0.40) KDM4ANAMPTHDAC1KDM1AMAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5621133-A PREPARING A 1-(3,4-DIALKOXYPHENYL),3-HYDROXYALKANE(C6-C12) BY EPOXIDIZING A HALO DERIVATIVE WITH A BASE FOLLOWED BY DECYCLICIZING WITH AN ORGANOMETALLIC COMPOUND IN A SOLVENT; NAPHTHYLENES, ISOCHROMENES AND ISOTHIOCHROMENES DENINNO MICHAEL P (US) 1997-04-15 US disclosed
US-5591884-A PROTECTED HYDROXYALKYLCATECHOL INTERMEDIATES ABBOTT LABORATORIES (US) 1997-01-07 US disclosed
WO-1996038435-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1996-12-05 WO disclosed
EP-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP disclosed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP disclosed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP disclosed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO disclosed
US-4963568-A TREATMENT OF PARKINSON*S DISEASE, CARDIOVASCULAR DISORDERS ABBOTT LABORATORIES (US) 1990-10-16 US disclosed