SCHEMBL17640901

SCHEMBL17640901

CCCCOC(=O)CNC(=O)c1c(O)c2c([nH]c1=O)COC2

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.45
KDM4E B2RXH2 9/20 0.40
POLB P06746 3/20 0.40
ALDH1A1 P00352 7/20 0.40
TSHR P16473 3/20 0.39
HPGD P15428 2/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
PPARG P37231 1/20 0.39
NCOA2 Q15596 1/20 0.39
NCOA1 Q15788 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
NCOA3 Q9Y6Q9 1/20 0.39
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
KMT2A Q03164 1/20 0.38
LMNA P02545 2/20 0.37
EGLN1 Q9GZT9 2/20 0.37
HSD17B10 Q99714 1/20 0.35

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
SCHEMBL17641360 0.91 PKM (0.47) PKMKDM4EPOLBALDH1A1TSHR
SCHEMBL1003416 0.65 PKM (0.38) PKMKDM4EPOLBALDH1A1TSHR
SCHEMBL27882363 0.63 ALDH1A1 (0.39) POLBALDH1A1HPGDRAB9APPARG
SCHEMBL27516962 0.61 NAAA (0.48) POLBALDH1A1TSHRHPGDTDP1
SCHEMBL11576980 0.61 ALDH1A1 (0.54) POLBALDH1A1TSHRHPGDPPARG
SCHEMBL27530408 0.61 POLB (0.66) KDM4EPOLBHPGDNPC1RAB9A
SCHEMBL807476 0.61 ALDH1A1 (0.52) ALDH1A1TSHRHPGDPPARGNCOA2
SCHEMBL10042966 0.61 GAA (0.47) POLBALDH1A1TSHRHPGDPPARG
SCHEMBL28099046 0.60 NPSR1 (0.49) POLBALDH1A1TSHRHPGDRAB9A
SCHEMBL23969603 0.60 POLB (0.68) POLBTSHRNPC1RAB9AMEN1

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
WO-2016049100-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO disclosed
WO-2016045128-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO disclosed
WO-2016049098-A1 INHIBITORS OF HIF PROLYL HYDROXYLASE MERCK SHARP & DOHME CORP. (US) 2016-03-31 WO disclosed