SCHEMBL9718386

SCHEMBL9718386

C=CCC(C(=O)OCC)C(C#N)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.38
TSHR P16473 2/20 0.38
SMN1; SMN2 Q16637 3/20 0.37
L3MBTL1 Q9Y468 2/20 0.37
GAA P10253 3/20 0.35
MAPK1 P28482 1/20 0.35
MEN1 O00255 3/20 0.34
KMT2A Q03164 3/20 0.34
CYP2C9 P11712 1/20 0.33
NPSR1 Q6W5P4 2/20 0.33
HTT P42858 3/20 0.33
LMNA P02545 3/20 0.33
KDM4E B2RXH2 1/20 0.32
NPC1 O15118 1/20 0.32
USP2 O75604 1/20 0.32
TP53 P04637 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
RAB9A P51151 1/20 0.32

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
SCHEMBL7454074 0.82 KMT2A (0.41) ALDH1A1TSHRSMN1; SMN2L3MBTL1GAA
SCHEMBL11134509 0.80 ALDH1A1 (0.37) ALDH1A1TSHRL3MBTL1GAAMAPK1
SCHEMBL10535054 0.79 SMN1; SMN2 (0.45) ALDH1A1TSHRSMN1; SMN2L3MBTL1GAA
SCHEMBL5330741 0.79 ALDH1A1 (0.40) ALDH1A1TSHRSMN1; SMN2L3MBTL1GAA
SCHEMBL23687256 0.77 ALDH1A1 (0.35) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL9743601 0.77 ALDH1A1 (0.35) ALDH1A1TSHRL3MBTL1GAAMAPK1
SCHEMBL5085952 0.77 ALDH1A1 (0.35) ALDH1A1TSHRGAAMEN1KMT2A
SCHEMBL31083837 0.76 ALDH1A1 (0.38) ALDH1A1TSHRSMN1; SMN2L3MBTL1GAA
SCHEMBL1877812 0.75 ALDH1A1 (0.34) ALDH1A1TSHRL3MBTL1GAAMAPK1
SCHEMBL29014424 0.75 SMN1; SMN2 (0.39) ALDH1A1TSHRSMN1; SMN2L3MBTL1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0293053-B1 PROCESS FOR THE PREPARATION OF CYCLIC CARBOXYLIC ANHYDRIDES SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1992-03-04 EP disclosed
EP-0293053-A2 Process for the preparation of cyclic carboxylic anhydrides SHELL INTERNATIONALE RESEARCHMAATSCHAPPIJ B.V. (NL) 1988-11-30 EP disclosed