SCHEMBL577498

SCHEMBL577498

COC(=O)C(Cc1ccc(N2C(O)c3ccccc3C2O)cc1)c1cccc(C(=O)c2ccccc2)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 6/20 0.49
PTGS1 P23219 5/20 0.49
MAPT P10636 2/20 0.42
CXCR1 P25024 2/20 0.42
CXCR2 P25025 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
RECQL P46063 1/20 0.42
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
CYP3A4 P08684 1/20 0.42
HPGD P15428 1/20 0.42
MAPK1 P28482 1/20 0.42
PMP22 Q01453 1/20 0.42
SLC22A6 Q4U2R8 1/20 0.42
HSD17B10 Q99714 1/20 0.42
CXCL8 P10145 1/20 0.42
THPO P40225 1/20 0.42
HIF1A Q16665 1/20 0.42
ESR1 P03372 1/20 0.41

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
SCHEMBL576750 0.82 PTGS2 (0.56) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL2687556 0.81 PTGS2 (0.53) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL2687759 0.74 PTGS2 (0.54) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL8814026 0.73 PTGS1 (0.66) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL577062 0.73 AKR1C3 (0.42) PTGS2PTGS1SLC22A6
SCHEMBL2687418 0.71 PTGS2 (0.60) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL2703769 0.70 PTGS2 (0.58) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL1234209 0.69 ESR1 (0.68) ALDH1A1HSD17B10ESR1ESR2MEN1
SCHEMBL576614 0.69 MAPT (0.60) PTGS2PTGS1MAPTCXCR1CXCR2
SCHEMBL7042372 0.68 MTNR1A (0.62) KDM4EESR1ESR2MEN1KMT2A

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