SCHEMBL29851985

SCHEMBL29851985

CCOC(=O)c1cnnn1COCC[Si](C)(C)C

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DGAT1 O75907 2/20 0.37
PTGS2 P35354 1/20 0.36
TDP1 Q9NUW8 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
POLB P06746 1/20 0.35
CYP2C9 P11712 2/20 0.35
CYP2C19 P33261 2/20 0.35
IDO1 P14902 4/20 0.34
RAB9A P51151 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
LMNA P02545 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33

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
SCHEMBL4152078 0.83 KLKB1 (0.37) DGAT1PTGS2MAPT
SCHEMBL25414258 0.82 SMN1; SMN2 (0.41) DGAT1TDP1SMN1; SMN2POLBRAB9A
SCHEMBL30871782 0.81 TDP1 (0.45) DGAT1TDP1SMN1; SMN2POLBIDO1
SCHEMBL25107980 0.81 TDP1 (0.40) DGAT1TDP1SMN1; SMN2POLBRAB9A
SCHEMBL30414625 0.80 F2RL1 (0.38) DGAT1TDP1SMN1; SMN2POLBIDO1
SCHEMBL20854943 0.80 TDP1 (0.40) DGAT1TDP1SMN1; SMN2POLBCYP2C9
SCHEMBL31021743 0.80 SMN1; SMN2 (0.41) DGAT1TDP1SMN1; SMN2POLBIDO1
SCHEMBL24298797 0.80 TDP1 (0.39) DGAT1TDP1SMN1; SMN2POLBRAB9A
SCHEMBL17593262 0.80 TDP1 (0.39) DGAT1TDP1SMN1; SMN2POLBIDO1
SCHEMBL20140164 0.80 TDP1 (0.39) DGAT1TDP1SMN1; SMN2POLBRAB9A

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-114929676-A Heterocyclic carboxylate compounds as glycolate oxidase inhibitors 紫丁香疗法有限公司 2022-08-19 CN disclosed