SCHEMBL9863577

SCHEMBL9863577

COc1ccc(N=NC(C)(C(=O)O)C(=O)O)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.51
PPARA Q07869 2/20 0.49
PPARD Q03181 1/20 0.49
CES2 O00748 5/20 0.48
CES1 P23141 5/20 0.48
ACHE P22303 2/20 0.48
ELANE P08246 1/20 0.46
CA1 P00915 1/20 0.44
CA2 P00918 1/20 0.44
PTGS2 P35354 1/20 0.44
MEN1 O00255 1/20 0.42
POLB P06746 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
NOS3 P29474 2/20 0.42
HTR3E A5X5Y0 1/20 0.42
HTR3B O95264 1/20 0.42
HTR3A P46098 1/20 0.42
HTR3D Q70Z44 1/20 0.42
HTR3C Q8WXA8 1/20 0.42

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
SCHEMBL1405603 0.72 CA1 (0.65) MAPTACHECA1CA2PTGS2
SCHEMBL1405602 0.72 CA1 (0.65) MAPTACHECA1CA2PTGS2
SCHEMBL8031887 0.70 CA1 (0.54) MAPTCES2CES1CA1CA2
SCHEMBL11291505 0.70 CA4 (0.45) MAPTCES2CES1ACHECA1
SCHEMBL2583118 0.70 PTGS2 (0.41) MAPTCES2CES1ACHEELANE
SCHEMBL11291499 0.70 CA4 (0.45) MAPTCES2CES1ACHECA1
SCHEMBL28982575 0.70 MAPT (0.53) MAPTPPARAPPARDCES2CES1
SCHEMBL9631701 0.69 LMNA (0.56) MAPTPPARAPPARDKMT2AL3MBTL1
SCHEMBL7162814 0.69 CA1 (0.58) MAPTCES2CES1CA1CA2
SCHEMBL1405136 0.69 CA4 (0.59) MAPTCA1CA2PTGS2MEN1

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
US-4988787-A Addition copolymers from unsaturated isocyanates and acrylonitrile, maleic anhydride, maleimide or acrylic esters BAYER AKTIENGESELLSCHAFT (DE) 1991-01-29 US disclosed