SCHEMBL2765103

SCHEMBL2765103

O=C(N[C@@H]1CC(=O)N(c2ccc(C(=O)N3CCCC3)cc2)C1)Oc1ccc(Cl)s1

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LMNA P02545 9/20 0.43
TP53 P04637 5/20 0.43
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
MAPT P10636 2/20 0.41
KDM4E B2RXH2 1/20 0.41
F2 P00734 1/20 0.40
F10 P00742 1/20 0.40
ENPP2 Q13822 3/20 0.40

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
SCHEMBL2765417 0.89 LMNA (0.42) LMNATP53ALDH1A1HPGDMAPT
SCHEMBL3285450 0.84 F10 (0.55) LMNATP53ALDH1A1HPGDF2
SCHEMBL5270302 0.78 F10 (0.43) LMNAF2F10ENPP2
SCHEMBL2766124 0.77 LMNA (0.44) LMNATP53MAPTKDM4E
SCHEMBL2765569 0.76 LMNA (0.46) LMNATP53MAPTKDM4E
SCHEMBL2767137 0.76 LMNA (0.46) LMNATP53MAPTKDM4E
SCHEMBL2766277 0.75 LMNA (0.43) LMNATP53F10
SCHEMBL5269049 0.75 F10 (0.42) LMNATP53MAPTF10
SCHEMBL3285554 0.74 LMNA (0.50) LMNATP53ALDH1A1HPGDMAPT
SCHEMBL2767432 0.73 TP53 (0.41) LMNATP53ALDH1A1MAPTF10

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-1858890-B1 NOVEL ANTITHROMBOTIC SUBSTITUTED PYRROLIDINONES, THE PRODUCTION AND USE THEREOF IN THE FORM OF MEDICAMENTS BOEHRINGER INGELHEIM PHARMA (DE) 2010-04-14 EP disclosed