SCHEMBL6292986

SCHEMBL6292986

CC(C)([C]=O)NC(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.37
CA12 O43570 3/20 0.37
CA14 Q9ULX7 3/20 0.37
DGAT1 O75907 1/20 0.37
CA1 P00915 2/20 0.36
CA2 P00918 2/20 0.36
CA7 P43166 2/20 0.36
MEN1 O00255 1/20 0.35
GAA P10253 1/20 0.35
KMT2A Q03164 1/20 0.35
CTSK P43235 4/20 0.35
APLNR P35414 1/20 0.34
CTSS P25774 2/20 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
SCHEMBL1995680 0.81 ALDH1A1 (0.30) DGAT1
SCHEMBL2187338 0.80 NPC1 (0.36) TDP1CA12CA14DGAT1CA1
SCHEMBL14282687 0.80 CTSK (0.41) TDP1CA12CA14DGAT1CA1
SCHEMBL2911305 0.80 CTSS (0.40) TDP1DGAT1MEN1KMT2ACTSK
SCHEMBL132657 0.75 DGAT1 (0.42) TDP1CA12CA14DGAT1CA1
SCHEMBL30154343 0.75 MEN1 (0.35) TDP1CA12CA14DGAT1CA1
SCHEMBL29957057 0.74 CTSK (0.37) TDP1CA12CA14DGAT1CA1
SCHEMBL15064823 0.73 DGAT1 (0.41) TDP1CA12CA14DGAT1CA1
Ammonia Solution, Strong SCHEMBL9998482 0.73 DGAT1 (0.41) TDP1CA12CA14DGAT1CA1
SCHEMBL13857890 0.73 DGAT1 (0.41) TDP1CA12CA14DGAT1CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5250517-A Hypotensive and cardiotonic agents; cardiac insufficiency HOFFMANN-LA ROCHE INC. (US) 1993-10-05 US claimed
US-6852856-B2 Method for preserving quaternary ammonium salt TOKUYAMA CORPORATION (JP) 2005-02-08 US disclosed
US-6458948-B1 MIXING A QUATERNARY AMMONIUM SALT HAVING A PARTICULAR TRIAZINE RING IN THE MOLECULES THEREOF, A CARBOXYLIC ACID COMPOUND AND A COMPOUND HAVING A NUCLEOPHILIC FUNCTIONAL GROUP, TO CONDENSE THE CARBOXYLIC ACID WITH THE COMPOUND HAVING THE NUCLEOPHILIC TOKUYAMA CORPORATION (JP) 2002-10-01 US disclosed
US-6123964-A N-(1(R)-((1,2-DIHYDRO-1-METHANESULFONYLSPIRO(3H-INDOLE-3,4' -PIPERDIN)-1'-YL)CARBONYL)-2-(PHENYLMETHYLOXY)ETHYL)-2-AMINO-2-METHYL -PROPANAMIDE, SPECIFIED BINDER/DILUENT, FIRST AND SECOND DILUENTS, DISINTEGRANT, AND LUBRICANT(S); TABLETS MERCK & CO., INC. (US) 2000-09-26 US disclosed
EP-1019402-A1 POLYMORPHIC FORMS OF A GROWTH HORMONE SECRETAGOGUE Merck & Co., Inc. (US) 2000-07-19 EP disclosed
US-6046333-A Convergent process for the preparation of a growth hormone secretagogue MERCK & CO., INC. (US) 2000-04-04 US disclosed
US-6028196-A USING INEXPENSIVE AND ENVIRONMENTALLY ACCEPTABLE STARTING MATERIALS REAGENTS AND SOLVENTS, NO CHROMATOGRAPHIC PURIFICATION OF INTERMEDIATE SPIROINDOLINE SULFONAMIDE TO PRODUCE THE STIMULANTS FOR RELEASING SOMATOTROPIN MERCK & CO., INC. (US) 2000-02-22 US disclosed
EP-0857020-A4 WET GRANULATION FORMULATION OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO INC (US) 1999-01-07 EP disclosed
EP-0863900-A1 PROCESS FOR THE PREPARATION OF A GROWTH HORMONE SECRETAGOGUE Merck & Co., Inc. (US) 1998-09-16 EP disclosed
EP-0857020-A1 WET GRANULATION FORMULATION OF A GROWTH HORMONE SECRETAGOGUE Merck & Co., Inc. (US) 1998-08-12 EP disclosed
US-5767124-A ADMINISTERING TO HUMANS AND ANIMALS TO TREAT PHYSIOLOGICAL OR MEDICAL CONDITIONS CHARACTERIZED BY A DEFICIENCY IN GROWTH HORMONE SECRETION MERCK & CO., INC. (US) 1998-06-16 US disclosed
US-5723616-A Process for the preparation of a growth hormone secretagogue MERCK & CO., INC. (US) 1998-03-03 US disclosed
WO-1997015191-A1 WET GRANULATION FORMULATION OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1997015574-A1 POLYMORPHIC FORMS OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-05-01 WO disclosed
WO-1997015573-A1 PROCESS FOR THE PREPARATION OF A GROWTH HORMONE SECRETAGOGUE MERCK & CO., INC. (US) 1997-05-01 WO disclosed