SCHEMBL1628974

SCHEMBL1628974

C=CC(=O)N[C@@H](Cc1ccccc1)C(=O)OCC

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.52
MMP8 P22894 1/20 0.51
TACR1 P25103 1/20 0.51
NOS2 P35228 5/20 0.50
NOS3 P29474 3/20 0.50
NOS1 P29475 3/20 0.50
POLB P06746 2/20 0.50
EGFR P00533 1/20 0.50
GAA P10253 1/20 0.49
RAB9A P51151 1/20 0.49
ATM Q13315 1/20 0.49
ALDH1A1 P00352 1/20 0.48
THRB P10828 1/20 0.48
CYP2C9 P11712 1/20 0.48
CYP2C19 P33261 1/20 0.48
HSD17B10 Q99714 1/20 0.48
ELANE P08246 1/20 0.47

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
SCHEMBL9405476 1.00 TP53 (0.52) TP53MMP8TACR1NOS2NOS3
SCHEMBL9088879 0.89 ATM (0.62) NOS2NOS3NOS1POLBGAA
SCHEMBL7898727 0.89 ATM (0.62) NOS2NOS3NOS1POLBGAA
SCHEMBL31256909 0.86 PPID (0.50) TP53TACR1NOS2NOS3NOS1
SCHEMBL4432859 0.86 MMP8 (0.49) TP53MMP8TACR1POLBEGFR
SCHEMBL12206033 0.86 TACR1 (0.49) TACR1NOS2NOS3NOS1POLB
SCHEMBL10613878 0.85 ALDH1A1 (0.47) TACR1NOS2NOS3NOS1POLB
SCHEMBL12149993 0.84 POLB (0.63) TP53MMP8TACR1POLBGAA
SCHEMBL9405478 0.84 NOS2 (0.57) TP53MMP8TACR1NOS2NOS3
SCHEMBL25497374 0.83 NOS2 (0.69) TP53MMP8TACR1NOS2NOS3

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6398962-B1 DISSOLVING A WATER-SOLUBLE POLYMER OR PORE FORMING AGENT AND A MATRIX AGENT IN A MEDIUM THAT PROMOTES THE HYDROLYSIS OF METALORGANIC COMPOUNDS TO FORM SILICON OXIDE SHAPED BODIES; SOLIDIFICATION AND ROASTING; FLUID FLOW MERCK KGAA (DE) 2002-06-04 US claimed
JP-4230350-A None JP disclosed
EP-2274091-B1 COMPOSITE MATERIAL BIOTAGE AB (SE) 2019-01-02 EP disclosed
EP-2289509-B1 Methods for purifying trans-(-)-delta9-tetrahydrocannabinol and trans-(+)-delta9-tetrahydrocannabinol EURO CELTIQUE SA (LU) 2015-10-14 EP disclosed
US-8426481-B2 Composite material BIOTAGE AB (SE) 2013-04-23 US disclosed
US-20110089608-A1 Composite material BIOTAGE AB (SE) 2011-04-21 US disclosed
EP-0991940-B1 USE OF MONOLITHIC SORBENTS FOR PREPARATIVE CHROMATOGRAPHIC SEPARATION MERCK PATENT GMBH (DE) 2010-08-25 EP disclosed
US-6398962-B1 DISSOLVING A WATER-SOLUBLE POLYMER OR PORE FORMING AGENT AND A MATRIX AGENT IN A MEDIUM THAT PROMOTES THE HYDROLYSIS OF METALORGANIC COMPOUNDS TO FORM SILICON OXIDE SHAPED BODIES; SOLIDIFICATION AND ROASTING; FLUID FLOW MERCK KGAA (DE) 2002-06-04 US disclosed
EP-0991940-A1 USE OF MONOLITHIC SORBENTS FOR PREPARATIVE CHROMATOGRAPHIC SEPARATION MERCK PATENT GmbH (DE) 2000-04-12 EP disclosed
WO-1998058253-A1 USE OF MONOLITHIC SORBENTS FOR PREPARATIVE CHROMATOGRAPHIC SEPARATION MERCK PATENT GMBH (DE) 1998-12-23 WO disclosed
JP-H04230350-A OPTICALLY ACTIVE N-ALPHA-FLUOROACRYLOYL AMINO-ACID DERIVATIVE AND ITS PRODUCTION, OPTICALLY ACTIVE POLYMER PRODUCED THEREFROM, AND RACEMIC MODULATION DIVISION BAYER AG 1992-08-19 JP disclosed
US-5096971-A Acrylic graft copolymer MITSUBISHI KASEI CORPORATION (JP) 1992-03-17 US disclosed
EP-0464488-A2 Optically active N-alpha-fluoroacryloyl-aminoacid derivatives, their preparation, optically active polymers prepared therefrom and their use for the separation of racemates BAYER AG (DE) 1992-01-08 EP disclosed
EP-0249078-B1 OPTICALLY ACTIVE ADSORBENTS MERCK PATENT GmbH (DE) 1991-02-20 EP disclosed
EP-0282770-B1 OPTICALLY ACTIVE (METH)-ACRYLAMIDES, PROCESS FOR THEIR PREPARATION AND THEIR USE IN THE SEPARATION OF RACEMATES BAYER AG (DE) 1990-06-27 EP disclosed
US-4937000-A SILICA-IMMOBILIZED HOMO-AND COPOLYMERS; ADSORBENTS FOR CHROMA TOGRAPHIC SEDARATION BAYER AKTIENGESELLSCHAFT (DE) 1990-06-26 US disclosed
EP-0366042-A2 Adsorbent for optical resolution and resolution method employing it MITSUBISHI KASEI CORPORATION (JP) 1990-05-02 EP disclosed
US-4914159-A Optically active (meth)acrylamides, a process for their preparation, and their use for racemate resolution BAYER AKTIENGESELLSCHAFT (DE) 1990-04-03 US disclosed
US-4882048-A POLY(METH)ACRYLAMIDES BONDED TO SILICA GEL; CHROMATOGRAPHIC SEPARATION MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1989-11-21 US disclosed
EP-0249078-A2 Optically active adsorbents MERCK PATENT GmbH (DE) 1987-12-16 EP disclosed