SCHEMBL6938772

SCHEMBL6938772

C/C=C\Oc1cccc(Oc2ccccc2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.47
LTA4H P09960 2/20 0.46
TSHR P16473 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
ALDH1A1 P00352 2/20 0.44
MAPT P10636 2/20 0.44
MITF O75030 1/20 0.44
GAA P10253 1/20 0.44
GFER P55789 1/20 0.44
NLRP1 Q9C000 1/20 0.44
NOD2 Q9HC29 1/20 0.44
AKR1C3 P42330 1/20 0.43
PPARG P37231 1/20 0.41
PTGS1 P23219 2/20 0.41
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
TLR4 O00206 2/20 0.40
TLR2 O60603 2/20 0.40

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
SCHEMBL6938774 1.00 MAOB (0.47) MAOBLTA4HTSHRSMN1; SMN2MEN1
SCHEMBL5612567 0.88 ACHE (0.34) MAOBSMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5207997 0.86 LTA4H (0.52) LTA4HTSHRSMN1; SMN2LMNA
SCHEMBL8347164 0.81 CA4 (0.43) LTA4HTSHRKMT2AGAALMNA
SCHEMBL5898125 0.81 CA4 (0.43) LTA4HTSHRKMT2AGAALMNA
SCHEMBL6202477 0.81 CA4 (0.43) LTA4HTSHRKMT2AGAALMNA
Ammonia Solution, Strong SCHEMBL30411567 0.79 CA4 (0.42) LTA4HTSHRKMT2AGAALMNA
SCHEMBL1173711 0.78 LTA4H (0.75) MAOBLTA4HTSHRSMN1; SMN2MEN1
SCHEMBL4025817 0.78 LTA4H (0.75) MAOBLTA4HTSHRSMN1; SMN2MEN1
SCHEMBL30211827 0.78 LTA4H (0.75) MAOBLTA4HTSHRSMN1; SMN2MEN1

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-0888278-B1 ANTIDIABETIC AGENTS MERCK & CO INC (US) 2003-07-23 EP disclosed
EP-0888278-A4 ANTIDIABETIC AGENTS MERCK & CO INC (US) 1999-06-30 EP disclosed
EP-0888278-A1 ANTIDIABETIC AGENTS Merck & Co., Inc. (US) 1999-01-07 EP disclosed
WO-1997028115-A1 ANTIDIABETIC AGENTS MERCK & CO., INC. (US) 1997-08-07 WO disclosed