SCHEMBL9879100

SCHEMBL9879100

CC1(C)CC(O)CC(C)(C)N1.O=C(O)CC(C(=O)O)C(CC(=O)O)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.48
HTT P42858 1/20 0.38
POLB P06746 1/20 0.34
GAA P10253 3/20 0.33
KDM4E B2RXH2 1/20 0.32
KMT2A Q03164 1/20 0.32
TSHR P16473 1/20 0.31
EZH2 Q15910 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
SCHEMBL5812600 0.80 GAA (0.44) TDP1HTTPOLBGAATSHR
Succinic Acid SCHEMBL11604469 0.80 GAA (0.39) HTTPOLBGAAKDM4EKMT2A
SCHEMBL9879415 0.78 TDP1 (0.47) TDP1TSHR
Acetic Acid SCHEMBL987152 0.77 GAA (0.41) HTTPOLBGAAKDM4EKMT2A
Ammonia Solution, Strong SCHEMBL27500860 0.77 RECQL (0.40) POLBGAAKMT2AEZH2
Adipic Acid SCHEMBL11606959 0.77 LMNA (0.42) TDP1HTTGAAKMT2ATSHR
Glutarate SCHEMBL11605405 0.77 SLC22A6 (0.42) TDP1HTTGAAKDM4EKMT2A
SCHEMBL1311884 0.76 TDP1 (0.37) TDP1HTTPOLBGAA
SCHEMBL74869 0.76 TDP1 (0.37) TDP1HTTPOLBGAA
SCHEMBL23803704 0.75 GAA (0.41) TDP1HTTGAA

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
US-5013774-A Imidized acrylics, tetramethylpiperidine stabilizer, weatherproofing MITSUBISHI RAYON COMPANY, LTD. (JP) 1991-05-07 US disclosed
EP-0332136-A2 Thermoplastic methacrylimide group-containing resin composition MITSUBISHI RAYON CO., LTD. (JP) 1989-09-13 EP disclosed