SCHEMBL9630407

SCHEMBL9630407

COCC(=O)OCC(C)(C)C=O

nearest known ligand 0.30

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL2843422 0.79 NAAA (0.38) MEN1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL13445491 0.76 MAPK1 (0.34) ALDH1A1CYP3A4TSHRMAPK1HIF1A
SCHEMBL23521357 0.76 DGKA (0.44) MEN1ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL2846232 0.76 ALDH1A1 (0.43) MEN1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL4425044 0.76 DGKA (0.44) MEN1ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL10572750 0.76 DGKA (0.44) MEN1ALDH1A1CYP1A2CYP3A4MAPT
SCHEMBL9936671 0.75 HTT (0.31)
SCHEMBL3095915 0.74 MMP1 (0.40) ALDH1A1TSHR
SCHEMBL1976670 0.74 ALDH1A1 (0.40) ALDH1A1TSHR
SCHEMBL2847460 0.73 DGKA (0.46) MEN1ALDH1A1CYP1A2CYP3A4MAPT

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
US-5084487-A Polyetherpolyimine copolymers for reaction injection molding BASF AKTIENGESELLSCHAFT (DE) 1992-01-28 US disclosed
EP-0438696-A1 Process for the preparation of elastic compact or cellular moulded articles on the basis of elastomers containing N-substituted urea- and amide groups, such elastomers and polyoxyalkylene-polyamine mixtures, containing polyazomethines, suitable therefor BASF Aktiengesellschaft (DE) 1991-07-31 EP disclosed
US-4853454-A POLYETHER- OR -ESTERURETHANES AND POLYIMINECURING AGENTS; MOLDINGKMATERIALS; SOLVENT-FREE; SPRAYABLE PROTECTIVE COATINGS BASF AKTIENGESELLSCHAFT (DE) 1989-08-01 US disclosed
US-4789691-A REACTING POLYISOCYANATE, POLYAZOMETHINE, AND AROMATIC POLYAMINES BASF AKTIENGESELLSCHAFT (DE) 1988-12-06 US disclosed