SCHEMBL1745160

SCHEMBL1745160

COCC(C=O)c1ccc2cc(OP(=O)(Cl)NC(C(=O)O)C(C)C)ccc2c1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 7/20 0.40
AKR1C2 P52895 7/20 0.40
PTGS2 P35354 4/20 0.39
PTGS1 P23219 3/20 0.39
TSHR P16473 2/20 0.39
CDC42 P60953 1/20 0.39
RAC1 P63000 1/20 0.39
CYP1A2 P05177 1/20 0.39
SLC22A6 Q4U2R8 1/20 0.39
AKR1C1 Q04828 1/20 0.37
ALOX5 P09917 1/20 0.33
CSGALNACT1 Q8TDX6 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PPARG P37231 2/20 0.33
PPARA Q07869 1/20 0.33
LMNA P02545 1/20 0.33
MAPT P10636 1/20 0.33
CYP2C9 P11712 1/20 0.33

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
SCHEMBL1743242 1.00 AKR1C3 (0.40) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL721604 0.82 AKR1C3 (0.48) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL721603 0.82 AKR1C3 (0.48) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL1743289 0.77 GSK3B (0.35) PTGS2PPARG
SCHEMBL10208268 0.72 TDP1 (0.41) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL31355239 0.71 MMP9 (0.45) NPSR1LMNA
SCHEMBL722003 0.71 ALDH1A1 (0.48) PPARGPPARAMAPT
SCHEMBL1742554 0.66 AKR1C3 (0.66) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL721608 0.65 TDP1 (0.43) AKR1C3AKR1C2PTGS2PTGS1TSHR
SCHEMBL721609 0.65 TDP1 (0.43) AKR1C3AKR1C2PTGS2PTGS1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2385951-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS University College Cardiff Consultants, Ltd. (GB) 2011-11-16 EP disclosed
US-20110254856-A1 MOBILE TERMINAL AND METHOD OF CONTROLLING OPERATION OF THE MOBILE TERMINAL LG ELECTRONICS INC. (KR) 2011-10-20 US disclosed
WO-2010081082-A2 PHOSPHORAMIDATE DERIVATIVES OF GUANOSINE NUCLEOSIDE COMPOUNDS FOR TREATMENT OF VIRAL INFECTIONS UNIVERSITY COLLEGE OF CARDIFF CONSULTANTS LIMITED (GB) 2010-07-15 WO disclosed