SCHEMBL15080982

SCHEMBL15080982

NC(=O)OCCON1C(=O)c2ccccc2C1=O

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.64
CYP1A2 P05177 2/20 0.57
ALDH1A1 P00352 6/20 0.55
CYP2C9 P11712 1/20 0.51
LMNA P02545 1/20 0.47
RECQL P46063 1/20 0.47
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
HTT P42858 1/20 0.41
POLB P06746 1/20 0.40

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
SCHEMBL22326350 0.84 GAA (0.88) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL12028877 0.83 GAA (0.64) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL12155180 0.83 GAA (0.64) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL12143064 0.80 GAA (0.58) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL13515784 0.78 GAA (0.57) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL12028883 0.78 GAA (1.00) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL3077457 0.78 GAA (1.00) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL12029057 0.78 GAA (1.00) GAACYP1A2ALDH1A1CYP2C9RECQL
SCHEMBL34474429 0.78 SMN1; SMN2 (0.67) GAAALDH1A1LMNAMAPTMEN1
SCHEMBL28463507 0.78 SMN1; SMN2 (0.67) GAAALDH1A1LMNAMAPTMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111196808-B Diazabicyclo compounds and their use 南京圣和药业股份有限公司 2022-10-18 CN disclosed
CN-113874074-A HMOX1 inducers 米托布里奇公司 2021-12-31 CN disclosed
CN-111196808-A Diazabicyclo compounds and their use 南京圣和药业股份有限公司 2020-05-26 CN disclosed
CN-106061480-B Therapeutic inhibitory compounds 莱福斯希医药公司 2020-02-28 CN disclosed
US-8791231-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2014-07-29 US disclosed
US-8476411-B2 Compositions containing, methods involving, and uses of non-natural amino acids and polypeptides AMBRX, INC. (US) 2013-07-02 US disclosed