SCHEMBL30216752

SCHEMBL30216752

COC(=O)c1cccc(N)c1C(=O)O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.65
HSD17B10 Q99714 3/20 0.65
CFTR P13569 1/20 0.65
KDM4E B2RXH2 7/20 0.48
LMNA P02545 2/20 0.47
TSHR P16473 2/20 0.47
MMP2 P08253 1/20 0.47
GAA P10253 4/20 0.46
MAPT P10636 4/20 0.46
HPGD P15428 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
GLA P06280 2/20 0.46
ATM Q13315 2/20 0.46
CASP1 P29466 1/20 0.46
CASP7 P55210 1/20 0.46
CA1 P00915 3/20 0.46
CA2 P00918 3/20 0.46
CA9 Q16790 3/20 0.46
CA12 O43570 2/20 0.46

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
SCHEMBL2993964 1.00 ALDH1A1 (0.65) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL60709 0.89 ALDH1A1 (0.69) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL30342070 0.89 ALDH1A1 (0.69) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL8669430 0.87 TSHR (0.55) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL8892028 0.86 ALDH1A1 (0.59) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL14828744 0.86 ALDH1A1 (0.65) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL1666447 0.83 TSHR (0.52) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL29094369 0.83 MMP2 (0.44) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL27589842 0.82 ALDH1A1 (0.50) ALDH1A1HSD17B10CFTRKDM4ELMNA
SCHEMBL1097707 0.81 ALDH1A1 (0.68) ALDH1A1HSD17B10KDM4ELMNATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111499530-B Method for preparing amino methyl phthalate by one step 扬州工业职业技术学院 2023-02-07 CN claimed
CN-111499533-B Method for preparing acetamino dimethyl phthalate 扬州工业职业技术学院 2023-04-07 CN disclosed
CN-111499531-B Method for preparing dimethyl aminophthalate 扬州工业职业技术学院 2023-04-07 CN disclosed
CN-111499530-B Method for preparing amino methyl phthalate by one step 扬州工业职业技术学院 2023-02-07 CN disclosed