SCHEMBL28840586

SCHEMBL28840586

O=C(O)C(Br)Oc1ccc2ccccc2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PPARG P37231 6/20 0.57
PPARA Q07869 5/20 0.57
KMT2A Q03164 3/20 0.51
MEN1 O00255 2/20 0.51
PTPN7 P35236 1/20 0.51
MAPT P10636 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
HTT P42858 1/20 0.46
NCOA2 Q15596 1/20 0.46
NCOA1 Q15788 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
NR2E3 Q9Y5X4 1/20 0.46
NCOR2 Q9Y618 1/20 0.46
NCOA3 Q9Y6Q9 1/20 0.46
PPARD Q03181 2/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2A6 P11509 1/20 0.44
ALDH1A1 P00352 3/20 0.43
KDM4E B2RXH2 2/20 0.43

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
SCHEMBL11647490 0.84 MEN1 (0.56) PPARGPPARAKMT2AMEN1PTPN7
SCHEMBL5319015 0.82 CYP1A2 (0.46) PPARGPPARACYP1A2CES2CES1
SCHEMBL6562829 0.81 PPARG (0.60) PPARGPPARAKMT2AMEN1PTPN7
SCHEMBL20045393 0.78 CYP1A2 (0.66) PPARGPPARAKMT2AMEN1PTPN7
SCHEMBL30439101 0.78 PPARG (0.57) PPARGPPARAKMT2AMEN1PTPN7
SCHEMBL11424240 0.78 PPARG (0.57) PPARGPPARAKMT2AMEN1PTPN7
SCHEMBL2597632 0.78 CYP1A2 (0.66) PPARGPPARAKMT2AMEN1PTPN7
SCHEMBL8315325 0.77 PPARG (0.69) PPARGPPARAKMT2AMEN1PTPN7
SCHEMBL21881839 0.76 KDM4E (0.64) PPARGPPARAKMT2AMEN1PTPN7
SCHEMBL11419887 0.76 MRGPRX4 (0.48) PPARGKMT2ATDP1HTTPPARD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104276974-B 1 urea phosphate glycosides acyltransferase inhibitor of N acetylglucosamines and its preparation method and application 华中农业大学 2017-04-05 CN claimed
CN-104276974-B 1 urea phosphate glycosides acyltransferase inhibitor of N acetylglucosamines and its preparation method and application 华中农业大学 2017-04-05 CN disclosed