SCHEMBL4642687

SCHEMBL4642687

COc1ccc(CC(C)C(C)Cc2ccc(OC(C)=O)c(OC)c2)cc1O

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 8/20 0.73
ALOX12 P18054 3/20 0.73
FOS P01100 1/20 0.60
TTR P02766 1/20 0.60
JUN P05412 1/20 0.60
NR3C1 P04150 1/20 0.60
HSD17B1 P14061 1/20 0.60
HSD17B2 P37059 1/20 0.60
PTGS1 P23219 1/20 0.56
TUBB1 Q9H4B7 2/20 0.53
GAA P10253 2/20 0.51
LDHA P00338 1/20 0.51
MAPT P10636 1/20 0.50
ATM Q13315 1/20 0.50
TUBB4A P04350 1/20 0.49
TUBB P07437 1/20 0.49
TUBA3C P0DPH7 1/20 0.49
TUBA1B P68363 1/20 0.49
TUBA4A P68366 1/20 0.49
TUBB4B P68371 1/20 0.49

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
SCHEMBL4640756 0.95 ALOX15 (0.73) ALOX15ALOX12FOSTTRJUN
SCHEMBL4640745 0.93 ALOX15 (0.77) ALOX15ALOX12FOSTTRJUN
SCHEMBL4640485 0.92 FOS (0.73) ALOX15ALOX12FOSTTRJUN
SCHEMBL4640898 0.87 ALOX15 (0.90) ALOX15ALOX12FOSTTRJUN
SCHEMBL4641223 0.86 NR3C1 (0.73) ALOX15ALOX12FOSTTRJUN
SCHEMBL2358399 0.85 ALOX15 (0.73) ALOX15ALOX12FOSTTRJUN
SCHEMBL10335334 0.85 ALOX15 (0.73) ALOX15ALOX12FOSTTRJUN
Dimethylnordihydroguarierate Acid SCHEMBL22039401 0.85 ALOX15 (1.00) ALOX15ALOX12FOSTTRJUN
SCHEMBL10684531 0.85 ALOX15 (0.65) ALOX15ALOX12FOSTTRJUN
SCHEMBL22966612 0.82 ALOX15 (0.68) ALOX15ALOX12FOSTTRJUN

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