SCHEMBL4240579

SCHEMBL4240579

CC(C(=O)O)c1ccc(CC(C)(C)CCCNC(=O)OC(C)(C)C)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.48
GAA P10253 1/20 0.48
KMT2A Q03164 1/20 0.48
PTGS2 P35354 5/20 0.42
PTGS1 P23219 4/20 0.42
LMNA P02545 2/20 0.42
CYP2C9 P11712 2/20 0.42
AKR1C3 P42330 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
ALB P02768 1/20 0.42
ESR1 P03372 1/20 0.42
ALOX5 P09917 1/20 0.42
RARB P10826 1/20 0.42
ADRB3 P13945 1/20 0.42
NFKB1 P19838 1/20 0.42
HTR2A P28223 1/20 0.42
NR1I3 Q14994 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
CXCL8 P10145 1/20 0.42

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
SCHEMBL8785939 0.83 CA2 (0.50) MEN1GAAKMT2APTGS2PTGS1
SCHEMBL4243294 0.77 PTGS2 (0.50) KMT2APTGS2PTGS1LMNACYP2C9
SCHEMBL4601883 0.77 PTGS2 (0.50) KMT2APTGS2PTGS1LMNACYP2C9
SCHEMBL11438957 0.76 PTGS2 (0.62) KMT2APTGS2PTGS1LMNACYP2C9
SCHEMBL8474869 0.76 CA12 (0.60) MEN1GAAKMT2AIDO1CA1
SCHEMBL22996123 0.74 SMN1; SMN2 (0.54) MEN1GAAKMT2ALMNACYP2C9
SCHEMBL7433388 0.72 PTGS2 (0.57) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL1250535 0.72 PTGS2 (0.53) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL4480174 0.72 FAAH (0.51) PTGS2PTGS1LMNACYP2C9AKR1C3
SCHEMBL4474658 0.72 FAAH (0.51) PTGS2PTGS1LMNACYP2C9AKR1C3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8354392-B2 Drug-introduced photo-crosslinked hyaluronic acid derived gel SEIKAGAKU CORPORATION (JP) 2013-01-15 US disclosed
US-20090118348-A1 DRUG-INTRODUCED PHOTO-CROSSLINKED HYALURONIC ACID DERIVED GEL SEIKAGAKU CORPORATION (JP) 2009-05-07 US disclosed
EP-1905456-A1 DRUG-CONTAINING PHOTOCROSSLINKED HYALURONIC ACID DERIVATIVE GEL SEIKAGAKU CORPORATION (JP) 2008-04-02 EP disclosed