SCHEMBL28860780

SCHEMBL28860780

CC(C)(C)NC(=O)C#CC(=O)O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.33
POLB P06746 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
EGFR P00533 1/20 0.31
LMNA P02545 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
SCHEMBL18031063 0.77 EPHX1 (0.34) EPHX1POLBMEN1KMT2A
SCHEMBL9167945 0.75 EPHX1 (0.33) EPHX1POLBMEN1KMT2A
SCHEMBL8950868 0.75 EPHX1 (0.33) EPHX1POLBMEN1KMT2A
SCHEMBL12379100 0.75 EPHX1 (0.33) EPHX1POLBMEN1KMT2A
SCHEMBL28372323 0.72 KMT2A (0.47) EPHX1POLBMEN1KMT2AEGFR
SCHEMBL18133908 0.71 EPHX1 (0.31) EPHX1POLB
SCHEMBL19104254 0.71 KDM4C (0.31) EPHX1POLB
SCHEMBL21980901 0.70
SCHEMBL4150721 0.70
SCHEMBL3483750 0.69

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
CN-108368109-A It is used to prepare the catalyst of polyurethane 巴斯夫欧洲公司 2018-08-03 CN disclosed