SCHEMBL7681582

SCHEMBL7681582

O=C(Nc1sc2c(c1C(=O)O)OC(CN1C(=O)c3ccccc3C1=O)CC2)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 1/20 0.38
ALDH1A1 P00352 7/20 0.36
KMT2A Q03164 5/20 0.35
MEN1 O00255 1/20 0.34
USP2 O75604 2/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
HTT P42858 1/20 0.33
GAA P10253 2/20 0.33
KDM4E B2RXH2 2/20 0.33
POLB P06746 1/20 0.33
PTPN1 P18031 1/20 0.33
OPRD1 P41143 1/20 0.33
MDM4 O15151 1/20 0.32
TP53 P04637 1/20 0.32
KEAP1 Q14145 1/20 0.32

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
SCHEMBL6316890 0.82 PTPN1 (0.42) EPHX2ALDH1A1KMT2AMEN1USP2
SCHEMBL7127946 0.77 ALDH1A1 (0.43) ALDH1A1KMT2ACYP1A2CYP2C9CYP2C19
SCHEMBL6402811 0.74 CXCR2 (0.39) EPHX2ALDH1A1PTPN1
SCHEMBL6316896 0.68 RAB7A (0.37) EPHX2ALDH1A1KMT2AMEN1KDM4E
SCHEMBL23413466 0.64 FABP5 (0.47) EPHX2ALDH1A1KMT2AMEN1HTT
SCHEMBL30000091 0.64 FABP5 (0.47) EPHX2ALDH1A1KMT2AMEN1HTT
SCHEMBL30300681 0.64 EPHX2 (0.45) EPHX2ALDH1A1KMT2AMEN1HTT
SCHEMBL3051843 0.64 EPHX2 (0.55) EPHX2KMT2A
SCHEMBL6207147 0.64 PTPN1 (0.51) CYP1A2CYP2C9CYP2C19PTPN1
SCHEMBL8366872 0.63 EPHX2 (0.75) EPHX2ALDH1A1KMT2AMEN1TSHR

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
US-6410586-B1 ANTICOAGULANTS; INSULIN RESISTANCE; ANTIALLERGENS NOVO NORDISK A/S (DK) 2002-06-25 US disclosed