SCHEMBL7109248

SCHEMBL7109248

CC(C(=O)O)c1cccc(/C=C\COC(=O)N(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ EPOR P19235 3/20 0.47
▸ PTGS1 P23219 3/20 0.43
▸ PTGS2 P35354 3/20 0.41
▸ MAPT P10636 2/20 0.41
▸ CXCR1 P25024 2/20 0.41
▸ CXCR2 P25025 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ RECQL P46063 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ LMNA P02545 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ PMP22 Q01453 1/20 0.41
▸ SLC22A6 Q4U2R8 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41
▸ CXCL8 P10145 1/20 0.41
▸ THPO P40225 1/20 0.41
▸ HIF1A Q16665 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
SCHEMBL7107404 1.00 EPOR (0.47) EPORPTGS1PTGS2MAPTCXCR1
Tert-Butylamine SCHEMBL7109741 0.95 EPOR (0.43) EPORPTGS1PTGS2MAPTCXCR1
SCHEMBL7111904 0.87 EPOR (0.46) EPORPTGS1PTGS2MAPTALDH1A1
SCHEMBL7107759 0.82 MMP1 (0.47) EPORMAPTLMNAMAOBMMP1
SCHEMBL7112435 0.78 MAOB (0.51) EPORPTGS1PTGS2MAOBMMP1
SCHEMBL7105131 0.78 MAOB (0.51) EPORPTGS1PTGS2MAOBMMP1
SCHEMBL7111053 0.78 PPARA (0.50) EPORPTGS1PTGS2SMN1; SMN2KDM4E
Tert-Butylamine SCHEMBL7107931 0.76 CACNA1B (0.48) EPORMAOBCACNA1BMMP1MMP2
Tert-Butylamine SCHEMBL7659363 0.76 CACNA1B (0.48) EPORMAOBCACNA1BMMP1MMP2
SCHEMBL7107402 0.76 MAOB (0.49) EPORPTGS1PTGS2SMN1; SMN2KDM4E

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-1013639-B1 Aryl carboxylic acid and tetrazole derivatives comprising a carbamoyloxy unit HOFFMANN LA ROCHE (CH) 2003-10-01 — — EP claimed
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