SCHEMBL7783548

SCHEMBL7783548

O=C=NC1=CCC(N=C=O)(C(=O)C(O)c2ccccc2)C=C1

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.33
MAPK1 P28482 1/20 0.33
HPGD P15428 1/20 0.32
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31

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
SCHEMBL10455106 0.75 LMNA (0.36) LMNAMAPK1CES2CES1
SCHEMBL28431328 0.66
SCHEMBL28891517 0.61
SCHEMBL8775519 0.61
SCHEMBL10435053 0.60 LMNA (0.40) LMNAMAPK1HPGDCES2CES1
SCHEMBL4647750 0.58
SCHEMBL11431034 0.58 LMNA (0.49) LMNAMAPK1HPGDCES2CES1
SCHEMBL18537100 0.57 LMNA (0.47) LMNAMAPK1HPGDCES2CES1
SCHEMBL890219 0.55 LMNA (0.65) LMNAMAPK1HPGDCES2CES1
SCHEMBL9221845 0.55 LMNA (0.65) LMNAMAPK1HPGDCES2CES1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1141068-A1 ISOCYANATE-BASED HARDENABLE PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2001-10-10 EP disclosed
WO-2000039182-A1 ISOCYANATE-BASED HARDENABLE PREPARATIONS BASF AKTIENGESELLSCHAFT (DE) 2000-07-06 WO disclosed
EP-0103323-B1 PROCESS FOR THE PREPARATION OF STABILIZED POLYISOCYANATES, STABILIZED POLYISOCYANATES HAVING RETARDED REACTIVITY AND THEIR USE IN THE PREPARATION OF POLYURETHANES BAYER AG (DE) 1987-12-16 EP disclosed