SCHEMBL7449625

SCHEMBL7449625

CC(=O)Oc1ccc2c(c1OC(C)=O)CC(c1ccccc1)C=C2CNC(=O)C(C)NC(=O)C(C)N

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 7/20 0.34
F2 P00734 6/20 0.33
MMP8 P22894 1/20 0.33
GAA P10253 1/20 0.32
CARM1 Q86X55 2/20 0.32
PRMT6 Q96LA8 2/20 0.32
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
CYP1A2 P05177 1/20 0.31

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
SCHEMBL7449628 1.00 MASP2 (0.34) MASP2F2MMP8GAACARM1
Hydrochloric Acid SCHEMBL8829325 0.99 MASP2 (0.33) MASP2F2MMP8GAACARM1
Hydrochloric Acid SCHEMBL8829320 0.99 MASP2 (0.33) MASP2F2MMP8GAACARM1
SCHEMBL7444847 0.94 CARM1 (0.36) GAACARM1PRMT6HDAC1HDAC2
SCHEMBL7444849 0.94 CARM1 (0.36) GAACARM1PRMT6HDAC1HDAC2
SCHEMBL8829302 0.90 F2 (0.35) MASP2F2CARM1PRMT6
SCHEMBL8829296 0.90 F2 (0.35) MASP2F2CARM1PRMT6
SCHEMBL7447927 0.89 KMT2A (0.38)
SCHEMBL7447921 0.89 KMT2A (0.38)
Hydrochloric Acid SCHEMBL7440751 0.88 KMT2A (0.37)

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 11 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-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