SCHEMBL9547773

SCHEMBL9547773

COC(C)c1ccc(-c2ccc(OCc3ccccc3)cc2)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACACB O00763 1/20 0.55
FFAR1 O14842 2/20 0.52
ENPP3 O14638 1/20 0.51
ENPP1 P22413 1/20 0.51
GSTP1 P09211 2/20 0.50
ALOX5 P09917 1/20 0.50
LMNA P02545 1/20 0.50
CYP1A2 P05177 1/20 0.50
PTGS1 P23219 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
PTGS2 P35354 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HIF1A Q16665 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
BCHE P06276 1/20 0.49
GAA P10253 1/20 0.49
MAPT P10636 1/20 0.49
MAOA P21397 1/20 0.49
MAOB P27338 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
SCHEMBL9547764 0.95 LMNA (0.55) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL17602191 0.88 ALOX5 (0.51) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL17602195 0.85 ALOX5 (0.49) ALOX5LMNACYP1A2PTGS1SLC6A2
SCHEMBL9121973 0.83 ACACB (0.60) ACACBFFAR1ENPP3ENPP1GSTP1
SCHEMBL9547745 0.82 ACACB (0.51) ACACBFFAR1ENPP3ENPP1GSTP1
SCHEMBL17602193 0.82 MAPT (0.65) BCHEGAAMAPTRAB9ASMN1; SMN2
SCHEMBL9125577 0.81 ACACB (0.62) ACACBFFAR1ALOX5LMNAMAOB
Biphenyl SCHEMBL9839827 0.81 ACACB (0.59) ACACBFFAR1ENPP3ENPP1GSTP1
SCHEMBL197017 0.81 LMNA (0.72) FFAR1ENPP3ENPP1GSTP1ALOX5
SCHEMBL10022964 0.81 GSTP1 (0.58) ACACBFFAR1ENPP3ENPP1GSTP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0288297-B1 OPTICALLY ACTIVE BENZENE DERIVATIVES AND PROCESS FOR PREPARATION THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1993-03-17 EP disclosed