SCHEMBL9589331

SCHEMBL9589331

CC(C)(C)OC(=O)NC(Cc1ccc(OCc2ccccc2)c(OCc2ccccc2)c1)C(=O)OCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.52
TACR1 P25103 1/20 0.52
ACE P12821 1/20 0.51
CTSS P25774 4/20 0.50
CTSB P07858 3/20 0.50
CTSK P43235 3/20 0.50
KLK5 Q9Y337 1/20 0.50
CTSL P07711 1/20 0.50
PTPN1 P18031 2/20 0.49
BCL2 P10415 1/20 0.49
MAPT P10636 2/20 0.49
KDM4E B2RXH2 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.49
MAPK1 P28482 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MBTPS1 Q14703 1/20 0.47
PPARG P37231 1/20 0.47

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
SCHEMBL9589336 1.00 PPARA (0.52) PPARATACR1ACECTSSCTSB
SCHEMBL14577322 0.94 PPARA (0.50) PPARATACR1ACECTSSCTSB
SCHEMBL12643654 0.94 PPARA (0.50) PPARATACR1ACECTSSCTSB
SCHEMBL4107063 0.94 KLK5 (0.58) PPARAACECTSSCTSBCTSK
SCHEMBL4107015 0.94 KLK5 (0.58) PPARAACECTSSCTSBCTSK
SCHEMBL22959913 0.92 PPARA (0.48) PPARAACECTSSCTSBCTSK
SCHEMBL13626933 0.92 TACR1 (0.52) PPARATACR1ACECTSSCTSB
SCHEMBL1216578 0.91 ACE (0.61) PPARAACECTSSCTSBCTSK
SCHEMBL4112073 0.91 ACE (0.61) PPARAACECTSSCTSBCTSK
SCHEMBL13239556 0.91 ACE (0.61) PPARAACECTSSCTSBCTSK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4305049-A1 STABILIZED LIQUID COMPOSITIONS COMPRISING A LEVODOPA-TYROSINE CONJUGATE AND USES THEREOF Neuroderm Ltd (IL) 2024-01-17 EP disclosed
WO-2021024039-A1 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PAIN AND DEPENDANCE DISORDERS RIPPLE THERAPEUTICS CORPORATION (CA) 2021-02-11 WO disclosed
US-5216150-A Muscle relaxant; enzyme inhibitor and platelet aggutination inhibitor Hidaka, Hiroyoshi (JP) 1993-06-01 US disclosed
US-5081246-A Isoquinolino sulfonamino derivatives Hidaka, Hiroyoshi (JP) 1992-01-14 US disclosed