SCHEMBL28447231

SCHEMBL28447231

O=[N+]([O-])C(CO)(CO)CCCO

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35

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
SCHEMBL2637043 0.90 LMNA (0.39) LMNAALDH1A1TDP1
SCHEMBL8351999 0.87 LMNA (0.50) LMNAALDH1A1TDP1
SCHEMBL439253 0.85 LMNA (0.44) LMNAALDH1A1TDP1
SCHEMBL1170784 0.82 ALDH1A1 (0.39) LMNAALDH1A1
SCHEMBL1170366 0.80 ALDH1A1 (0.40) LMNAALDH1A1
SCHEMBL28652710 0.79 LMNA (0.52) LMNAALDH1A1TDP1
SCHEMBL22312 0.79 LMNA (0.52) LMNAALDH1A1TDP1
SCHEMBL1117694 0.79 ALDH1A1 (0.37) LMNAALDH1A1
SCHEMBL1117334 0.79 ALDH1A1 (0.43) ALDH1A1
SCHEMBL1170931 0.79 ALDH1A1 (0.43) ALDH1A1

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-114028568-A Method for preventing or treating side effects of tumor therapy 上海岸阔医药科技有限公司 2022-02-11 CN claimed
CN-111989095-A Method for preventing or treating side effects of tumor therapy 上海岸阔医药科技有限公司 2020-11-24 CN claimed
CN-111601617-A Method for preventing or treating diseases related to EGFR inhibition 上海岸阔医药科技有限公司 2020-08-28 CN claimed
CN-114028568-A Method for preventing or treating side effects of tumor therapy 上海岸阔医药科技有限公司 2022-02-11 CN disclosed
CN-113975264-A Method for preventing or treating side effects of tumor therapy 上海岸阔医药科技有限公司 2022-01-28 CN disclosed
CN-111601617-A Method for preventing or treating diseases related to EGFR inhibition 上海岸阔医药科技有限公司 2020-08-28 CN disclosed