SCHEMBL5483835

SCHEMBL5483835

C=CC(=O)OC(C)(N)c1ccccc1C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.35
ATM Q13315 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
THRB P10828 3/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
NPSR1 Q6W5P4 2/20 0.33
PKM P14618 1/20 0.33
ACHE P22303 1/20 0.33
GAA P10253 1/20 0.33
CASR P41180 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRB2 P47870 1/20 0.33
GSK3B P49841 2/20 0.32
SMN1; SMN2 Q16637 2/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 3/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4928340 0.84 THRB (0.35) CYP2C19ATMTDP1THRBMEN1
SCHEMBL4070526 0.78 CYP2C19 (0.37) CYP2C19ATMTDP1THRBMEN1
SCHEMBL28147925 0.77 KMT2A (0.38) CYP2C19THRBMEN1KMT2AACHE
SCHEMBL31132053 0.76 THRB (0.39) CYP2C19ATMTDP1THRBNPSR1
SCHEMBL28285845 0.75 THRB (0.35) CYP2C19THRBMEN1KMT2AACHE
Acrylamide SCHEMBL28928535 0.74 ALDH1A1 (0.37) CYP2C19ATMTDP1MEN1KMT2A
SCHEMBL19719090 0.73 ACHE (0.33) THRBACHEALDH1A1TSHR
SCHEMBL30887689 0.71 CYP2C19 (0.44) CYP2C19THRBKMT2AGAASMN1; SMN2
SCHEMBL27736690 0.71 NPC1 (0.42) TDP1NPSR1GAASMN1; SMN2MAPT
SCHEMBL29577536 0.71 THRB (0.43) TDP1THRBMEN1KMT2APKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130071475-A1 Method For Producing An Oral Pharmaceutical Form With Immediate Disintegration And Active Ingredient Release ROEHM GMBH (DE) 2013-03-21 US disclosed
US-8343542-B2 Method for producing an immediately decomposing oral form of administration which releases active ingredients EVONIK ROEHM GMBH (DE) 2013-01-01 US disclosed
US-7160558-B2 Coating and binding agent for pharmaceutical formulations with improved storage stability ROEHM GMBH & CO. KG (DE) 2007-01-09 US disclosed
US-20060051412-A1 Method for producing an immediately decomposing oral form of administration which releases active ingredients ROEHM GMBH & CO. KG (DE) 2006-03-09 US disclosed
US-20050142174-A1 Adhesive and binding agent for dermal or transdermal treatment systems ROEHM GMBH & CO. KG 2005-06-30 US disclosed