SCHEMBL28447232

SCHEMBL28447232

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

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.31

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
SCHEMBL10952107 0.84 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL28716924 0.79 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL6383785 0.77 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL1612759 0.76 ALDH1A1 (0.39) ALDH1A1LMNATSHR
SCHEMBL30366950 0.70 ALDH1A1 (0.42) ALDH1A1TSHR
SCHEMBL11598609 0.68 ALDH1A1 (0.31) ALDH1A1LMNA
SCHEMBL588304 0.68 ALDH1A1 (0.41) ALDH1A1TSHR
SCHEMBL10847489 0.67 ALDH1A1 (0.44) ALDH1A1LMNATSHR
SCHEMBL9510351 0.67 ALDH1A1 (0.39) ALDH1A1TSHR
SCHEMBL18471495 0.65 ALDH1A1 (0.34) 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