SCHEMBL4640485

SCHEMBL4640485

COc1cc(CC(C)C(C)Cc2ccc(OC(C)=O)c(OC)c2)ccc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOS P01100 1/20 0.73
TTR P02766 1/20 0.73
JUN P05412 1/20 0.73
NR3C1 P04150 1/20 0.73
HSD17B1 P14061 1/20 0.73
HSD17B2 P37059 1/20 0.73
ALOX15 P16050 8/20 0.68
ALOX12 P18054 3/20 0.68
GAA P10253 2/20 0.60
MAPT P10636 1/20 0.60
ATM Q13315 1/20 0.60
PTGS1 P23219 1/20 0.56
MMP1 P03956 1/20 0.54
CYP3A4 P08684 1/20 0.54
TSHR P16473 2/20 0.51
ALDH1A1 P00352 1/20 0.51
NFKB1 P19838 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
LDHA P00338 1/20 0.51
ALOX5 P09917 1/20 0.48

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
SCHEMBL4641223 0.95 NR3C1 (0.73) FOSTTRJUNNR3C1HSD17B1
SCHEMBL4640745 0.93 ALOX15 (0.77) FOSTTRJUNNR3C1HSD17B1
SCHEMBL4642687 0.92 ALOX15 (0.73) FOSTTRJUNNR3C1HSD17B1
SCHEMBL16917560 0.87 FOS (0.90) FOSTTRJUNNR3C1HSD17B1
SCHEMBL31237435 0.87 FOS (0.90) FOSTTRJUNNR3C1HSD17B1
SCHEMBL2390 0.87 FOS (0.90) FOSTTRJUNNR3C1HSD17B1
SCHEMBL4640756 0.86 ALOX15 (0.73) FOSTTRJUNNR3C1HSD17B1
SCHEMBL2358399 0.85 ALOX15 (0.73) FOSTTRJUNNR3C1HSD17B1
SCHEMBL10335334 0.85 ALOX15 (0.73) FOSTTRJUNNR3C1HSD17B1
Mesodihydroguaiaretic Acid SCHEMBL974725 0.85 FOS (1.00) FOSTTRJUNNR3C1HSD17B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE40246-E1 Method for the suppression of viral growth JOHN HOPKINS UNIVERSITY (US) 2008-04-15 US claimed
EP-0783474-B1 COMPOUNDS FOR THE SUPPRESSION OF HIV TAT TRANSACTIVATION UNIV JOHNS HOPKINS (US) 2008-08-06 EP disclosed
US-RE40246-E1 Method for the suppression of viral growth JOHN HOPKINS UNIVERSITY (US) 2008-04-15 US disclosed
US-6365787-B1 CREOSOTE BUSH LARREA TRIDENTATA EXTRACTS OF 1,4-BIS-(3,4-DIHYDROXY-PHENYL)-2,3-DIMETHYLBUTANE DERIVATIVES THE JOHNS HOPKINS UNIVERSITY 2002-04-02 US disclosed
US-6291524-B1 HYDROXY-, METHOXY- AND ACETOXY-DERIVATIVES OF 2,3-DIMETHYL-1,4-DIPHENYLBUTANE JOHNS HOPKINS UNIVERSITY 2001-09-18 US disclosed
US-5663209-A Compounds for the suppression of HIV Tat transactivation THE JOHNS HOPKINS UNIVERSITY (US) 1997-09-02 US disclosed
EP-0783474-A4 1997-08-27 EP disclosed
EP-0783474-A1 COMPOUNDS FOR THE SUPPRESSION OF HIV TAT TRANSACTIVATION THE JOHNS-HOPKINS UNIVERSITY (US) 1997-07-16 EP disclosed
WO-1996010549-A9 COMPOUNDS FOR THE SUPPRESSION OF HIV TAT TRANSACTIVATION 1996-06-06 WO disclosed
WO-1996010549-A1 COMPOUNDS FOR THE SUPPRESSION OF HIV TAT TRANSACTIVATION THE JOHNS-HOPKINS UNIVERSITY (US) 1996-04-11 WO disclosed