SCHEMBL8487408

SCHEMBL8487408

O=C(O)c1ccccc1CC1CC=CC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIK1 P39086 2/20 0.49
FOLH1 Q04609 2/20 0.49
ALDH1A1 P00352 6/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45
HIF1A Q16665 2/20 0.44
CYP2C9 P11712 1/20 0.44
MAPT P10636 1/20 0.42
TP53 P04637 1/20 0.41
HTT P42858 1/20 0.41
NR4A1 P22736 1/20 0.40
NR4A2 P43354 1/20 0.40
NR4A3 Q92570 1/20 0.40
GAA P10253 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
HMGB1 P09429 1/20 0.39

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
SCHEMBL3647579 0.85 GRIK1 (0.58) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL547637 0.85 GRIK1 (0.58) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL7298560 0.81 PPM1D (0.53) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL2018862 0.81 GRIK1 (0.51) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL2517985 0.79 GRIK1 (0.50) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL8486506 0.78 GRIK1 (0.46) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL18043819 0.76 CYP2C9 (0.50) GRIK1FOLH1ALDH1A1CYP2C9HTT
SCHEMBL15058447 0.76 SCN1A (0.50) GRIK1ALDH1A1CYP2C9
SCHEMBL2289368 0.75 FOLH1 (0.49) GRIK1FOLH1ALDH1A1ALOX15TSHR
SCHEMBL10514159 0.74 ALDH1A1 (0.48) GRIK1ALDH1A1CYP2C9BRD4

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-5912356-A HERPES VIRUS GLAXO WELLCOME INC. (US) 1999-06-15 US disclosed
EP-0630368-B1 ANTIVIRAL NUCLEOSIDE ANALOGUES WELLCOME FOUND (GB) 1998-09-09 EP disclosed
US-5534535-A ANTIVIRAL ANALOGS WITH SUBSTITUTED BENZIMIDAZOLE BASE BURROUGHS WELLCOME CO. (US) 1996-07-09 US disclosed
US-5399580-A Viricides for hepatitis B BURROUGHS WELLCOME CO. (US) 1995-03-21 US disclosed
EP-0630368-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES THE WELLCOME FOUNDATION LIMITED (GB) 1994-12-28 EP disclosed
WO-1993018009-A1 ANTIVIRAL NUCLEOSIDE ANALOGUES THE WELLCOME FOUNDATION LIMITED (GB) 1993-09-16 WO disclosed