SCHEMBL19304500

SCHEMBL19304500

C[C@H](NP(=O)(Cl)Oc1ccc(Cl)c(F)c1)C(=O)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PPARG P37231 1/20 0.47
PPARA Q07869 1/20 0.47
ELANE P08246 2/20 0.43
SLC6A4 P31645 1/20 0.40
BTN3A1 O00481 1/20 0.40
ALDH1A1 P00352 3/20 0.39
PRTN3 P24158 2/20 0.39
HPGD P15428 1/20 0.39
HRH3 Q9Y5N1 1/20 0.38
TP53 P04637 1/20 0.38
ATM Q13315 1/20 0.37

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
SCHEMBL28592153 1.00 PPARG (0.47) PPARGPPARAELANESLC6A4BTN3A1
SCHEMBL12621317 0.86 ELANE (0.46) PPARGPPARAELANEBTN3A1ALDH1A1
SCHEMBL12621325 0.85 TP53 (0.52) PPARGPPARAELANEBTN3A1ALDH1A1
SCHEMBL28918364 0.85 TP53 (0.52) PPARGPPARAELANEBTN3A1ALDH1A1
SCHEMBL18961988 0.84 ELANE (0.54) ELANEBTN3A1ALDH1A1PRTN3TP53
SCHEMBL12621310 0.84 ELANE (0.54) ELANEBTN3A1ALDH1A1PRTN3TP53
SCHEMBL19206472 0.83 PPARG (0.44) PPARGPPARASLC6A4HRH3
SCHEMBL13875638 0.82 ELANE (0.47) ELANEBTN3A1ALDH1A1PRTN3TP53
SCHEMBL18478022 0.82 ELANE (0.47) ELANEBTN3A1PRTN3TP53
SCHEMBL16566324 0.81 ELANE (0.46) PPARGPPARAELANEBTN3A1PRTN3

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
EP-3214090-A1 THIONUCLEOSIDE DERIVATIVE OR SALT THEREOF, AND PHARMACEUTICAL COMPOSITION Fujifilm Corporation (JP) 2017-09-06 EP disclosed