SCHEMBL7750283

SCHEMBL7750283

Cc1c(O)cccc1CCCCCCCC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BID P55957 6/20 0.51
MCL1 Q07820 6/20 0.51
BCL2L1 Q07817 5/20 0.51
BAK1 Q16611 5/20 0.51
KAT8 Q9H7Z6 2/20 0.51
PPARG P37231 1/20 0.51
PPARA Q07869 1/20 0.51
EP300 Q09472 1/20 0.51
KAT2A Q92830 1/20 0.51
KAT2B Q92831 1/20 0.51
KAT5 Q92993 1/20 0.51
SAE1 Q9UBE0 1/20 0.51
F13A1 P00488 3/20 0.50
MAPT P10636 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
LTB4R Q15722 3/20 0.46
LTB4R2 Q9NPC1 1/20 0.46
CYSLTR2 Q9NS75 1/20 0.46
CYSLTR1 Q9Y271 1/20 0.46
ACHE P22303 1/20 0.45

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
SCHEMBL9997112 0.86 IAPP (0.51) BIDMCL1BCL2L1BAK1
Pimelic Acid SCHEMBL8652092 0.86 HDAC11 (0.50) PPARGPPARAMAPTRXFP1
SCHEMBL8389559 0.85 F13A1 (0.51) PPARGPPARAF13A1MAPTRXFP1
SCHEMBL27673297 0.85 F13A1 (0.51) PPARGPPARAF13A1MAPTRXFP1
SCHEMBL31169746 0.85 F13A1 (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL31086218 0.85 F13A1 (0.51) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL20854050 0.83 CYSLTR2 (0.49) PPARGPPARAF13A1MAPTRXFP1
SCHEMBL7399102 0.83 IAPP (0.57) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL31169744 0.83 F13A1 (0.49) BIDMCL1BCL2L1BAK1KAT8
SCHEMBL28122719 0.83 F13A1 (0.49) F13A1MAPTRXFP1LTB4R

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0836382-A4 NEW CRYPTOPHYCINS UNIV HAWAII (US) 2001-01-17 EP 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
WO-1996039829-A9 NEW CRYPTOPHYCINS 1997-02-20 WO disclosed
WO-1996039829-A1 NEW CRYPTOPHYCINS UNIVERSITY OF HAWAII (US) 1996-12-19 WO disclosed