SCHEMBL6818528

SCHEMBL6818528

CCOC(=O)O[C@@H]1C=C[C@H](NC(C)=O)C1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
ALDH1A1 P00352 5/20 0.36
SOAT1 P35610 1/20 0.34
HSD17B10 Q99714 2/20 0.33
MAPK1 P28482 1/20 0.33
LMNA P02545 2/20 0.31
CYP2C19 P33261 5/20 0.31
ASGR1 P07306 1/20 0.31
CYP3A4 P08684 3/20 0.31
CYP1A2 P05177 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CYP2C9 P11712 2/20 0.30
RAB9A P51151 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
SCHEMBL7862572 1.00 NFKB1 (0.37) NFKB1NFKB2RELAALDH1A1SOAT1
SCHEMBL7862444 0.88 ASGR1 (0.33) NFKB1NFKB2RELAALDH1A1MAPK1
SCHEMBL6818332 0.88 ASGR1 (0.33) NFKB1NFKB2RELAALDH1A1MAPK1
SCHEMBL7862552 0.85 HPGD (0.39) ALDH1A1MAPK1LMNACYP2C19ASGR1
SCHEMBL6821109 0.83 CYP1A2 (0.31) HSD17B10CYP2C19CYP1A2
SCHEMBL6821237 0.83 CYP1A2 (0.31) HSD17B10CYP2C19CYP1A2
SCHEMBL6821414 0.80 SMN1; SMN2 (0.34)
SCHEMBL31739235 0.80 ALDH1A1 (0.41) NFKB1NFKB2RELAALDH1A1SOAT1
SCHEMBL6917661 0.78 NFKB1 (0.39) NFKB1NFKB2RELAALDH1A1HSD17B10
SCHEMBL6836199 0.78 NFKB1 (0.39) NFKB1NFKB2RELAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1095160-B1 METHOD FOR PRODUCING (1R,4S)-2-AZABICYCLO 2.2.1 HEPT-5-EN-3-ON DERIVATIVES. LONZA AG (CH) 2004-01-28 EP claimed
EP-1095160-B1 METHOD FOR PRODUCING (1R,4S)-2-AZABICYCLO 2.2.1 HEPT-5-EN-3-ON DERIVATIVES. LONZA AG (CH) 2004-01-28 EP disclosed
EP-1095160-A1 METHOD FOR PRODUCING (1R,4S)-2-AZABICYCLO 2.2.1 HEPT-5-EN-3-ON DERIVATIVES. Lonza AG (CH) 2001-05-02 EP disclosed
WO-2000003032-A1 METHOD FOR PRODUCING (1R,4S)-2-AZABICYLCO[2.2.1]HEPT-5-EN-3-ON DERIVATIVES LONZA AG (CH) 2000-01-20 WO disclosed