SCHEMBL28517815

SCHEMBL28517815

CC(C)(C)N(NC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.37
POLB P06746 2/20 0.34
ALDH1A1 P00352 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX1 P07099 1/20 0.31
RECQL P46063 1/20 0.30
CA14 Q9ULX7 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
SCHEMBL28672492 0.82 POLB (0.36) POLBCYP3A4CYP2C9RECQL
SCHEMBL11525181 0.77 POLB (0.38) POLBSMN1; SMN2CYP3A4CYP2C9MEN1
SCHEMBL11797946 0.71 HTT (0.40) POLBSMN1; SMN2CYP3A4CYP2C9
SCHEMBL21580241 0.69 CA2 (0.46) CA2POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL1644184 0.69 POLB (0.35) POLBALDH1A1CYP3A4CYP2C9
SCHEMBL1276936 0.68 MEN1 (0.37) POLBSMN1; SMN2CYP3A4CYP2C9MEN1
SCHEMBL17686051 0.68 TSHR (0.35) POLBALDH1A1CYP3A4CYP2C9
SCHEMBL16166384 0.67 POLB (0.34) POLBALDH1A1CYP3A4CYP2C9
SCHEMBL7801311 0.64 EPHX1 (0.41) CA2POLBALDH1A1SMN1; SMN2MEN1
SCHEMBL2757992 0.61 CA2 (0.48) CA2POLBALDH1A1SMN1; SMN2CYP2C9

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-112236457-A Novel cross-linked alginic acid 持田制药株式会社 2021-01-15 CN disclosed