SCHEMBL8065754

SCHEMBL8065754

O=C(O)CCCCC1=CCC=CC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F13A1 P00488 3/20 0.42
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
SCD O00767 1/20 0.40
LMNA P02545 3/20 0.39
NFKB1 P19838 2/20 0.38
TSHR P16473 1/20 0.38
PMP22 Q01453 1/20 0.38
CYP2D6 P10635 1/20 0.38
SLC6A3 Q01959 2/20 0.36
BLM P54132 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
PLG P00747 1/20 0.36
THRB P10828 1/20 0.36
ALOX15 P16050 1/20 0.36
SLC6A2 P23975 1/20 0.36
RECQL P46063 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL17611060 0.95 HDAC3 (0.41) F13A1MAPTRXFP1SCDLMNA
SCHEMBL8048744 0.86 MPO (0.31) TBXAS1
SCHEMBL6748342 0.83 F13A1 (0.53) F13A1MAPTRXFP1SCDLMNA
SCHEMBL6751710 0.83 F13A1 (0.53) F13A1MAPTRXFP1SCDLMNA
SCHEMBL28039677 0.75 SCD (0.47) F13A1MAPTRXFP1SCDLMNA
Isopropylamine SCHEMBL6750472 0.74 SCD (0.46) F13A1MAPTRXFP1SCDLMNA
SCHEMBL23630610 0.71 TAAR1 (0.35) MAPTLMNANPSR1MEN1ALDH1A1
SCHEMBL28343241 0.70 ALDH1A1 (0.44) F13A1MAPTRXFP1SCDLMNA
SCHEMBL13837931 0.70 HDAC3 (0.42) F13A1MAPTRXFP1SCDLMNA
SCHEMBL238692 0.69

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6072046-A SELECTIVELY FORM TRIPLEXES WITH A COMPLEMENTARY TARGET SEQUENCE IN DOUBLE-STRANDED DNA AND EFFICIENTLY CROSSLINK WITH BOTH STRANDS; THERAPEUTICS, DIAGNOSTICS, AND GENETIC PROBES EPOCH PHARMACEUTICALS, INC. (US) 2000-06-06 US disclosed
WO-2000012523-A1 DIAZIRIDINYL-ARYL AND BIS-[DI(CHLOROETHYL)AMINO]-ARYL OLIGONUCLEOTIDE CONJUGATES AND REAGENTS FOR MAKING THE SAME EPOCH PHARMACEUTICALS, INC. (US) 2000-03-09 WO disclosed