SCHEMBL28600490

SCHEMBL28600490

CC(NP(=O)(Cl)Oc1ccc(I)cc1)C(=O)OCc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.46
BTN3A1 O00481 1/20 0.44
PRTN3 P24158 2/20 0.44
TP53 P04637 1/20 0.41
KLK1 P06870 1/20 0.40
ATM Q13315 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL12621310 0.92 ELANE (0.54) ELANEBTN3A1PRTN3TP53KLK1
SCHEMBL18961988 0.92 ELANE (0.54) ELANEBTN3A1PRTN3TP53KLK1
SCHEMBL12621325 0.89 TP53 (0.52) ELANEBTN3A1PRTN3TP53KLK1
SCHEMBL13875638 0.89 ELANE (0.47) ELANEBTN3A1PRTN3TP53ATM
SCHEMBL18478022 0.89 ELANE (0.47) ELANEBTN3A1PRTN3TP53KLK1
SCHEMBL28918364 0.89 TP53 (0.52) ELANEBTN3A1PRTN3TP53KLK1
SCHEMBL12621317 0.88 ELANE (0.46) ELANEBTN3A1PRTN3TP53KLK1
SCHEMBL18973564 0.88 BTN3A1 (0.55) ELANEBTN3A1PRTN3TP53KLK1
SCHEMBL12621321 0.85 BTN3A1 (0.44) ELANEBTN3A1PRTN3
SCHEMBL12621314 0.84 NPC1 (0.46) ELANEBTN3A1PRTN3TP53ALDH1A1

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-107148423-B Thionucleoside derivative or salt thereof and pharmaceutical composition 富士胶片株式会社 2021-07-30 CN disclosed