SCHEMBL7444849

SCHEMBL7444849

CC(=O)Oc1ccc2c(c1OC(C)=O)CC(c1ccccc1)C=C2CNC(=O)[C@H](C)N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CARM1 Q86X55 9/20 0.36
PRMT6 Q96LA8 9/20 0.36
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
SLC8A1 P32418 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
ADORA2A P29274 1/20 0.33
ADORA1 P30542 1/20 0.33
PTPN1 P18031 2/20 0.32
KDM4E B2RXH2 1/20 0.32
GAA P10253 1/20 0.32
DRD2 P14416 1/20 0.31
DRD1 P21728 1/20 0.31
MAPK1 P28482 1/20 0.31
BACE1 P56817 1/20 0.30
TAAR1 Q96RJ0 1/20 0.30

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
SCHEMBL7444847 1.00 CARM1 (0.36) CARM1PRMT6HDAC1HDAC2HDAC8
SCHEMBL7449628 0.94 MASP2 (0.34) CARM1PRMT6HDAC1HDAC2HDAC8
SCHEMBL7449625 0.94 MASP2 (0.34) CARM1PRMT6HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL8829325 0.93 MASP2 (0.33) CARM1PRMT6HDAC1HDAC2HDAC8
Hydrochloric Acid SCHEMBL8829320 0.93 MASP2 (0.33) CARM1PRMT6HDAC1HDAC2HDAC8
SCHEMBL9041532 0.89 LTA4H (0.32) ADORA3ADORA2AADORA1PTPN1
SCHEMBL7443351 0.88 ADORA3 (0.36) ADORA3ADORA2AADORA1PTPN1KDM4E
SCHEMBL7544146 0.87 CTSC (0.34) GAA
SCHEMBL7544144 0.87 CTSC (0.34) GAA
SCHEMBL7447933 0.86

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-0474767-B1 DOPAMINE AGONISTS ABBOTT LAB (US) 1996-02-21 EP claimed
EP-0474767-A4 DOPAMINE AGONISTS 1992-07-08 EP claimed
EP-0474767-A1 DOPAMINE AGONISTS. ABBOTT LAB (US) 1992-03-18 EP claimed
WO-1990015056-A1 DOPAMINE AGONISTS ABBOTT LABORATORIES (US) 1990-12-13 WO claimed
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-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