SCHEMBL8648982

SCHEMBL8648982

OC/C=C/c1ccc2cc(/C=C/CO)ccc2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.63
CYP3A4 P08684 1/20 0.63
RECQL P46063 1/20 0.63
RELA Q04206 1/20 0.45
PTGS1 P23219 1/20 0.44
HDAC1 Q13547 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
GRIK1 P39086 1/20 0.40
GRIK2 Q13002 1/20 0.40
GRIK3 Q13003 1/20 0.40
RHOA P61586 1/20 0.39
PLAU P00749 3/20 0.38
CNR2 P34972 1/20 0.38
PLG P00747 1/20 0.38
PLAT P00750 1/20 0.38
KLK1 P06870 1/20 0.38
KDM4E B2RXH2 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
GLA P06280 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL8648985 1.00 ALDH1A1 (0.63) ALDH1A1CYP3A4RECQLRELAPTGS1
SCHEMBL6500171 0.92 RELA (0.59) ALDH1A1CYP3A4RECQLRELAPTGS1
SCHEMBL3973218 0.92 RELA (0.59) ALDH1A1CYP3A4RECQLRELAPTGS1
SCHEMBL11351372 0.90 ALDH1A1 (0.53) ALDH1A1CYP3A4RECQLRELAPTGS1
SCHEMBL6964436 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4RECQLRELAPTGS1
SCHEMBL6964447 0.87 ALDH1A1 (0.50) ALDH1A1CYP3A4RECQLRELAPTGS1
SCHEMBL9276383 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4RECQLRELAPTGS1
SCHEMBL9276381 0.82 ALDH1A1 (0.62) ALDH1A1CYP3A4RECQLRELAPTGS1
SCHEMBL10746614 0.78 CNR2 (0.55) ALDH1A1CYP3A4RELAPTGS1HDAC1
SCHEMBL10746611 0.78 CNR2 (0.55) ALDH1A1CYP3A4RELAPTGS1HDAC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5399676-A DNA sequence identification GILEAD SCIENCES (US) 1995-03-21 US claimed
US-5721218-A Oligonucleotides with inverted polarity GILEAD SCIENCES, INC. (US) 1998-02-24 US disclosed
US-5527899-A STABILIZATION THE SINGLE-STRAND OLIGONUCLEOTIDE TO EXONUCLEASE DEGRADATION GILEAD SCIENCES, INC. (US) 1996-06-18 US disclosed
US-5399676-A DNA sequence identification GILEAD SCIENCES (US) 1995-03-21 US disclosed
EP-0539371-A1 TRIPLE HELIX FORMATION IN OLIGONUCLEOTIDE THERAPY GILEAD SCIENCES, INC. (US) 1993-05-05 EP disclosed
WO-1991006626-A2 TRIPLE HELIX FORMATION IN OLIGONUCLEOTIDE THERAPY GILEAD SCIENCES, INC. (US) 1991-05-16 WO disclosed