SCHEMBL8558261

SCHEMBL8558261

O=S(=O)(Nc1oc(CO)nc1-c1ccccc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 2/20 0.44
EDNRB P24530 5/20 0.42
EDNRA P25101 5/20 0.42
MAPT P10636 4/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HPGD P15428 2/20 0.41
PTPN2 P17706 2/20 0.41
PTPN1 P18031 2/20 0.41
PTPN5 P54829 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
TSHR P16473 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
MMP1 P03956 1/20 0.40

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
SCHEMBL8556139 0.91 MAPT (0.47) HSD11B1MAPTMEN1KMT2APTPN2
SCHEMBL8557632 0.87 NR4A2 (0.57) HSD11B1EDNRBEDNRAMAPTMEN1
SCHEMBL8555072 0.86 SLC40A1 (0.45) HSD11B1EDNRBEDNRAMAPTMEN1
SCHEMBL8556764 0.85 MAPT (0.54) HSD11B1EDNRBEDNRAMAPTMEN1
SCHEMBL8557447 0.85 RXRA (0.59) KDM4EHPGDCYP2C19TSHRNR4A2
SCHEMBL8560795 0.84 EDNRB (0.43) HSD11B1EDNRBEDNRAMAPTMEN1
SCHEMBL8561174 0.83 TSHR (0.44) EDNRBEDNRAMEN1KMT2AKDM4E
SCHEMBL8553642 0.82 AR (0.46) HSD11B1MAPTMEN1KMT2AKDM4E
SCHEMBL8555436 0.82 TSHR (0.41) HSD11B1EDNRBEDNRAMAPTMEN1
SCHEMBL8558401 0.82 MAPT (0.45) HSD11B1MAPTMEN1KMT2APTPN2

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-0699192-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-03-06 EP claimed
WO-1994027980-A1 SUBSTITUTED OXAZOLYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1994-12-08 WO claimed
US-5719163-A ARTHRITIS G.D. SEARLE & CO. (US) 1998-02-17 US disclosed