SCHEMBL9720384

SCHEMBL9720384

Nc1ccccc1B1OBOBO1

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 2/20 0.36
CYP3A4 P08684 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
MEN1 O00255 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3G Q9HC16 1/20 0.33
ALDH1A1 P00352 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
TSHR P16473 2/20 0.30

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
SCHEMBL15571457 0.75 ACHE (0.36) ALDH1A1TSHR
SCHEMBL3780980 0.75 CYP3A4 (0.45) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL31380588 0.71 LPL (0.46) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL168780 0.71 LPL (0.46) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL3179138 0.70 CYP3A4 (0.39) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL3180807 0.70 CYP3A4 (0.39) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
Hydrochloric Acid SCHEMBL5117784 0.69 LPL (0.44) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL13056711 0.68 ALOX15 (0.38) ALOX15CYP3A4CASP1CASP7SMN1; SMN2
SCHEMBL9948079 0.68 CES2 (0.31)
SCHEMBL20312448 0.67 ALOX15 (0.36) ALOX15CYP3A4CASP1CASP7SMN1; SMN2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0284959-B1 STABLE BORON RESINS OF HIGH SELECTIVE ABSORBENT POWER INALCO SpA (IT) 1992-01-29 EP disclosed
US-5011535-A Purifying aqueous lactulose solutions INALCO S.P.A. (IT) 1991-04-30 US disclosed
US-4937294-A ACRYLIC POLYMER MATRIX FUNCTIONALISED WITH QUATENARY-AMMONIUM GROUP, EPOXY GROUP AND PHENYLBORIC GROUP SIRAC SRL (IT) 1990-06-26 US disclosed
EP-0284959-A1 Stable boron resins of high selective absorbent power INALCO SpA (IT) 1988-10-05 EP disclosed