SCHEMBL18802134

SCHEMBL18802134

CC1OC(CO)C(c2ccccc2[N+](=O)[O-])O1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
GPR35 Q9HC97 1/20 0.40
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
HSD17B10 Q99714 2/20 0.39
KMT2A Q03164 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
ABCC4 O15439 1/20 0.39
PLIN1 O60240 1/20 0.39
CACNA1F O60840 1/20 0.39
GMNN O75496 1/20 0.39
KCNK2 O95069 1/20 0.39
ABCB11 O95342 1/20 0.39
GSR P00390 1/20 0.39
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
ADORA3 P0DMS8 1/20 0.39

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
SCHEMBL15539870 1.00 KDM4E (0.41) KDM4EMAPTGPR35ALDH1A1TSHR
SCHEMBL16795952 1.00 KDM4E (0.41) KDM4EMAPTGPR35ALDH1A1TSHR
SCHEMBL30444238 1.00 KDM4E (0.41) KDM4EMAPTGPR35ALDH1A1TSHR
SCHEMBL30444240 1.00 KDM4E (0.41) KDM4EMAPTGPR35ALDH1A1TSHR
SCHEMBL4386759 0.89 GPR35 (0.46) KDM4EMAPTGPR35ALDH1A1TSHR
SCHEMBL18186743 0.83 DNMT3B (0.38) KDM4EMAPTGPR35ALDH1A1TSHR
SCHEMBL15550765 0.83 DNMT3B (0.38) KDM4EMAPTGPR35ALDH1A1TSHR
SCHEMBL30444549 0.83 DNMT3B (0.38) KDM4EMAPTGPR35ALDH1A1TSHR
SCHEMBL18802935 0.83 DNMT3B (0.38) KDM4EMAPTGPR35ALDH1A1TSHR
SCHEMBL15551602 0.83 DNMT3B (0.38) KDM4EMAPTGPR35ALDH1A1TSHR

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-2861571-B1 PHENYLALKYL SULFAMATE COMPOUND AND MUSCLE RELAXANT COMPOSITION COMPRISING THE SAME BIO-PHARM SOLUTIONS CO LTD (KR) 2017-05-03 EP disclosed