SCHEMBL2589329

SCHEMBL2589329

C(=Cc1ccccc1)CB(Oc1ccccc1)Oc1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.46
LMNA P02545 2/20 0.42
PPARG P37231 1/20 0.42
NFE2L2 Q16236 1/20 0.42
PAM P19021 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HTR2A P28223 3/20 0.39
RELA Q04206 1/20 0.39
TRPA1 O75762 1/20 0.38

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
SCHEMBL692303 0.71 CA1 (0.52) IDO1LMNAPAMHTR2A
SCHEMBL692304 0.71 CA1 (0.52) IDO1LMNAPAMHTR2A
SCHEMBL4392557 0.71 HTR2A (0.48) IDO1PAMMEN1KMT2AHTR2A
SCHEMBL2357305 0.71 PPARA (0.53) IDO1MEN1KMT2ARELA
SCHEMBL1158153 0.69 IDO1 (0.61) IDO1LMNAPPARGNFE2L2PAM
SCHEMBL11426742 0.69 IDO1 (0.61) IDO1LMNAPPARGNFE2L2PAM
SCHEMBL1158152 0.69 IDO1 (0.61) IDO1LMNAPPARGNFE2L2PAM
SCHEMBL5951514 0.69 CA1 (0.50) IDO1LMNAPPARGNFE2L2MEN1
SCHEMBL5951517 0.69 CA1 (0.50) IDO1LMNAPPARGNFE2L2MEN1
SCHEMBL4863423 0.69 IDO1 (0.58) IDO1LMNANFE2L2PAMHTR2A

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
US-8047839-B2 Methods of identifying orthodontic adhesives 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-11-01 US disclosed
EP-1962770-A1 METHODS OF IDENTIFYING ORTHODONTIC ADHESIVES 3M Innovative Properties Company (US) 2008-09-03 EP disclosed
WO-2007075627-A1 METHODS OF IDENTIFYING ORTHODONTIC ADHESIVES 3M INNOVATIVE PROPERTIES COMPANY (US) 2007-07-05 WO disclosed
US-20070148609-A1 Methods of identifying orthodontic adhesives 3M INNOVATIVE PROPERTIES COMPANY 2007-06-28 US disclosed