SCHEMBL8698598

SCHEMBL8698598

Cc1ccc(C(Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)Sc2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.49
PTGS2 P35354 3/20 0.49
HPN P05981 1/20 0.49
MAPT P10636 1/20 0.49
ALOX15 P16050 1/20 0.49
SIRT5 Q9NXA8 1/20 0.49
CA2 P00918 4/20 0.48
SMN1; SMN2 Q16637 4/20 0.48
ALDH1A1 P00352 2/20 0.48
POLB P06746 1/20 0.48
TYR P14679 1/20 0.48
CA1 P00915 2/20 0.41
HSPA5 P11021 1/20 0.38
CYP2C9 P11712 2/20 0.37
CYP2C19 P33261 2/20 0.37
CYP1A2 P05177 1/20 0.37
HIF1A Q16665 1/20 0.37
VCAM1 P19320 1/20 0.35
HTT P42858 2/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL10710980 0.85 HPN (0.50) PTGS1PTGS2HPNMAPTALOX15
SCHEMBL10708262 0.84 MAPT (0.57) PTGS1HPNMAPTALOX15SIRT5
SCHEMBL11412940 0.77 SMN1; SMN2 (0.52) PTGS1PTGS2HPNMAPTALOX15
SCHEMBL10698130 0.75 ALOX15 (0.63) PTGS1HPNMAPTALOX15SIRT5
SCHEMBL10503818 0.75 ALOX15 (0.63) PTGS1HPNMAPTALOX15SIRT5
SCHEMBL30709668 0.75 CA2 (0.53) PTGS1PTGS2HPNMAPTALOX15
SCHEMBL8768745 0.74 ALOX15 (0.49) PTGS1PTGS2HPNMAPTALOX15
SCHEMBL9504462 0.73 ALOX15 (0.61) PTGS1HPNMAPTALOX15SIRT5
SCHEMBL646923 0.73 ALOX15 (0.61) PTGS1HPNMAPTALOX15SIRT5
SCHEMBL11605148 0.71 ALOX15 (0.49) PTGS1PTGS2HPNMAPTALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0482071-B1 NEW ANTIVIRAL AGENTS BIODOR US HOLDING CORP (US) 1998-01-07 EP claimed
EP-0482071-A4 NEW ANTIVIRAL AGENTS 1993-03-17 EP claimed
EP-0482071-A1 NEW ANTIVIRAL AGENTS BIODOR U.S. HOLDING CORPORATION (US) 1992-04-29 EP claimed
WO-1991001124-A1 NEW ANTIVIRAL AGENTS BIODOR U.S. HOLDING (US) 1991-02-07 WO claimed