SCHEMBL9770397

SCHEMBL9770397

CCN1CCN(C(=O)NC(C([NH])=O)c2ccc(OC(C)=O)c(OC(C)=O)c2)C(=O)C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ POLB P06746 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ PDE3A Q14432 1/20 0.33
▸ SLC22A6 Q4U2R8 1/20 0.33
▸ SLC22A8 Q8TCC7 1/20 0.33
▸ SLC22A11 Q9NSA0 1/20 0.33
▸ TSHR P16473 2/20 0.32
▸ THRB P10828 1/20 0.32
▸ HSD17B10 Q99714 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ INSR P06213 1/20 0.32
▸ IGF1R P08069 1/20 0.32
▸ ALDH1A1 P00352 2/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ GAA P10253 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ LMNA P02545 1/20 0.30
▸ CYP3A4 P08684 1/20 0.30
▸ HIF1A Q16665 1/20 0.30

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
SCHEMBL10401867 0.91 TSHR (0.34) SMN1; SMN2POLBMAPTPDE3ASLC22A6
SCHEMBL9770262 0.90 POLB (0.35) SMN1; SMN2POLBMAPTPDE3ASLC22A6
SCHEMBL8626068 0.84 SMN1; SMN2 (0.33) SMN1; SMN2POLBMAPTPDE3ASLC22A6
SCHEMBL10596819 0.83 SMN1; SMN2 (0.33) SMN1; SMN2POLB
SCHEMBL10817522 0.83 POLB (0.34) SMN1; SMN2POLBMAPTPDE3ASLC22A6
SCHEMBL10404206 0.82 MAPT (0.36) SMN1; SMN2POLBMAPTPDE3ASLC22A6
SCHEMBL10493331 0.81 MAPT (0.32) MAPTPDE3ASLC22A6SLC22A8SLC22A11
SCHEMBL8113253 0.81 MAPT (0.43) SMN1; SMN2POLBMAPTPDE3ASLC22A6
SCHEMBL3731768 0.81 MAPT (0.43) SMN1; SMN2POLBMAPTPDE3ASLC22A6
SCHEMBL10933958 0.80 DRD1 (0.34) SMN1; SMN2POLBMAPTPDE3ASLC22A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5028427-A Antibiotic BEECHAM GROUP P.L.C. (GB) 1991-07-02 — — US disclosed
EP-0071395-B1 BETA-LACTAM ANTIBACTERIAL AGENTS BEECHAM GROUP PLC (GB) 1988-08-10 — — EP disclosed
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