SCHEMBL577375

SCHEMBL577375

COC(=O)C(c1ccccc1Nc1c(Cl)cccc1Cl)N1C(O)c2ccccc2C1O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CXCL8 P10145 8/20 0.53
PTGS2 P35354 3/20 0.39
TTR P02766 2/20 0.39
CYP2C9 P11712 2/20 0.39
USP2 O75604 1/20 0.39
LMNA P02545 1/20 0.39
TBXA2R P21731 1/20 0.39
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
PTGS1 P23219 2/20 0.39
ABCB11 O95342 2/20 0.39
AKR1B10 O60218 1/20 0.39
UGT1A9 O60656 1/20 0.39
TRPA1 O75762 1/20 0.39
MT-CO2 P00403 1/20 0.39
ALB P02768 1/20 0.39
UGT1A6 P19224 1/20 0.39
UGT1A1 P22309 1/20 0.39
CXCR1 P25024 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL576512 0.90 CXCL8 (0.50) CXCL8PTGS2TTRCYP2C9USP2
SCHEMBL576626 0.86 CXCL8 (0.46) CXCL8PTGS2TTRCYP2C9USP2
SCHEMBL577374 0.78 CXCL8 (0.52) CXCL8PTGS2TTRCYP2C9USP2
SCHEMBL11515988 0.76 CXCL8 (0.62) CXCL8PTGS2TTRCYP2C9USP2
SCHEMBL577228 0.74 CXCL8 (0.45) CXCL8PTGS2TTRCYP2C9USP2
SCHEMBL576761 0.73 CXCL8 (0.54) CXCL8PTGS2TTRCYP2C9USP2
SCHEMBL576745 0.72 CXCL8 (0.43) CXCL8PTGS2TTRCYP2C9USP2
SCHEMBL28809681 0.72 CXCL8 (0.71) CXCL8PTGS2TTRCYP2C9USP2
SCHEMBL576889 0.71 CXCL8 (0.52) CXCL8PTGS2TTRCYP2C9USP2
SCHEMBL11516024 0.69 CXCL8 (0.58) CXCL8PTGS2TTRCYP2C9USP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2418200-A1 PHTHALIMIDE DERIVATIVES OF NON-STEROIDAL ANTI-INFLAMMATORY COMPOUNDS AND/OR TNF- MODULATORS, METHOD FOR PRODUCING SAME, PHARMACEUTICAL COMPOSITIONS CONTAINING SAME AND USES THEREOF FOR THE TREATMENT OF INFLAMMATORY DISEASES EMS S. A. (BR) 2012-02-15 EP disclosed