SCHEMBL1387264

SCHEMBL1387264

[CH2]c1cccc(OCCl)c1

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.35
CYP3A4 P08684 2/20 0.35
TSHR P16473 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
HIF1A Q16665 2/20 0.34
ALDH1A1 P00352 1/20 0.34
WDR5 P61964 1/20 0.34
MAOB P27338 5/20 0.33
MAPK1 P28482 2/20 0.33
LMNA P02545 2/20 0.33
HTT P42858 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
PRSS1 P07477 2/20 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
SCHEMBL320330 0.84 HIF1A (0.45) TP53CYP3A4TSHRSMN1; SMN2HIF1A
SCHEMBL16957914 0.83 SMN1; SMN2 (0.39) TP53CYP3A4TSHRSMN1; SMN2HIF1A
SCHEMBL129082 0.78 TP53 (0.59) TP53CYP3A4TSHRSMN1; SMN2ALDH1A1
SCHEMBL7527524 0.78 TP53 (0.38) TP53CYP3A4TSHRSMN1; SMN2HIF1A
SCHEMBL1978791 0.78 TP53 (0.35) TP53CYP3A4TSHRSMN1; SMN2HIF1A
SCHEMBL11833932 0.76 WDR5 (0.56) SMN1; SMN2WDR5MAOBMAPK1LMNA
SCHEMBL910934 0.75 MEN1 (0.45) CYP3A4SMN1; SMN2ALDH1A1LMNA
SCHEMBL3471134 0.75 ALDH1A1 (0.57) TSHRALDH1A1PRSS1
SCHEMBL910975 0.75 KMT2A (0.54) TP53CYP3A4TSHRLMNA
SCHEMBL3241338 0.75 KCNH2 (0.44) ALDH1A1DRD2DRD4PRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-H09510436-A 1997-10-21 JP claimed
EP-0735819-A4 NEW CRYPTOPHYCINS UNIV HAWAII (US) 1997-03-19 EP claimed
EP-0735819-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1996-10-09 EP claimed
WO-1995017093-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1995-06-29 WO claimed
EP-0735819-B1 CRYPTOPHYCINS UNIV HAWAII (US) 2001-07-11 EP disclosed
EP-0830136-A4 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIV HAWAII (US) 2001-01-24 EP disclosed
EP-0836382-A4 NEW CRYPTOPHYCINS UNIV HAWAII (US) 2001-01-17 EP disclosed
US-6013626-A TO INHIBIT THE PROLIFERATION OF MAMMALIAN CELLS; ANTITUMOR AGENTS THE UNIVERSITY OF HAWAII (US) 2000-01-11 US disclosed
US-5955423-A USED TO INHIBIT THE PROLIFERATION OF HYPERPROLIFERATIVE CELLS; DERIVED FROM NOSTOC SP.OF BLUE-GREEN ALGAE THE UNIVERSITY OF HAWAII (US) 1999-09-21 US disclosed
US-5952298-A NOVEL CRYPTOPHYCIN COMPOUNDS PRODUCED BY CYANOBACTERIA OF GENUS NOSTOC USED AS ANTIPROLIFERATIVE AGENTS IN COMBINATION WITH ANTIMITOTIC AGENTS TO TREAT CELLS WITH DRUG RESISTANT PHENOTYPES, AND TO TREAT NEOPLASIA THE UNIVERSITY OF HAWAII (US) 1999-09-14 US disclosed
EP-0836382-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1998-04-22 EP disclosed
EP-0830136-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1998-03-25 EP disclosed
EP-0735819-A4 NEW CRYPTOPHYCINS UNIV HAWAII (US) 1997-03-19 EP disclosed
WO-1996039829-A9 NEW CRYPTOPHYCINS 1997-02-20 WO disclosed
WO-1996039829-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1996-12-19 WO disclosed
WO-1996040184-A1 NEW CRYPTOPHYCINS FROM SYNTHESIS UNIVERSITY OF HAWAII (US) 1996-12-19 WO disclosed
EP-0735819-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1996-10-09 EP disclosed
WO-1995017093-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1995-06-29 WO disclosed