SCHEMBL17836871

SCHEMBL17836871

NC(=O)c1ccc(C(N)=O)c(C(N)=O)c1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERN1 O75460 1/20 0.47
MAPT P10636 4/20 0.44
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 2/20 0.44
TSHR P16473 2/20 0.44
HSD17B10 Q99714 2/20 0.44
HPGD P15428 1/20 0.44
KMT2A Q03164 4/20 0.38
ATM Q13315 1/20 0.38
DGAT1 O75907 1/20 0.38
MEN1 O00255 2/20 0.37
MAPK1 P28482 1/20 0.37
METAP2 P50579 1/20 0.37
BCAT2 O15382 1/20 0.35
SELL P14151 1/20 0.34
SELP P16109 1/20 0.34
NNMT P40261 1/20 0.34
CXCR2 P25025 1/20 0.34
TDP1 Q9NUW8 2/20 0.33
SIRT3 Q9NTG7 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
SCHEMBL15619426 0.89 SELL (0.50) ERN1MAPTKDM4EALDH1A1TSHR
SCHEMBL8548472 0.86 KDM4E (0.46) ERN1MAPTKDM4EALDH1A1TSHR
SCHEMBL30366773 0.86 KDM4E (0.46) ERN1MAPTKDM4EALDH1A1TSHR
SCHEMBL9432675 0.84 ALDH1A1 (0.46) ERN1MAPTKDM4EALDH1A1TSHR
SCHEMBL34465393 0.84 ALDH1A1 (0.46) ERN1MAPTKDM4EALDH1A1TSHR
SCHEMBL30211643 0.84 ERN1 (0.54) ERN1MAPTKDM4EALDH1A1TSHR
SCHEMBL3424158 0.84 ERN1 (0.54) ERN1MAPTKDM4EALDH1A1TSHR
SCHEMBL28165959 0.79 SELL (0.50) ERN1MAPTKDM4EALDH1A1TSHR
SCHEMBL9844924 0.78 KDM4E (0.48) ERN1MAPTKDM4EALDH1A1TSHR
SCHEMBL23829733 0.78 THRB (0.40) ERN1MAPTKDM4EALDH1A1TSHR

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-2142491-B2 BPA PROCESS IMPROVEMENT BADGER LICENSING LLC (US) 2016-06-22 EP disclosed