SCHEMBL7544144

SCHEMBL7544144

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

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CTSC P53634 2/20 0.34
KMT2A Q03164 2/20 0.34
MMP2 P08253 1/20 0.33
FNTA P49354 3/20 0.32
FNTB P49356 3/20 0.32
PGGT1B P53609 2/20 0.32
GAA P10253 1/20 0.31
TSHR P16473 1/20 0.30
MARS1 P56192 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
SCHEMBL7544146 1.00 CTSC (0.34) CTSCKMT2AMMP2FNTAFNTB
SCHEMBL9041532 0.90 LTA4H (0.32)
SCHEMBL7444847 0.87 CARM1 (0.36) GAA
SCHEMBL7444849 0.87 CARM1 (0.36) GAA
SCHEMBL7446689 0.84 SLC1A1 (0.38)
SCHEMBL7449628 0.83 MASP2 (0.34) GAA
SCHEMBL7443351 0.83 ADORA3 (0.36) KMT2AGAATSHR
Hydrochloric Acid SCHEMBL8829320 0.83 MASP2 (0.33) GAA
SCHEMBL7446408 0.79 DRD2 (0.35) KMT2AGAA
Hydrochloric Acid SCHEMBL7447474 0.78 DRD2 (0.35) KMT2AGAA

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