SCHEMBL288533

SCHEMBL288533

C=CC(=O)NC(C)(C)COP(=O)(O)O

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2C9 P11712 1/20 0.44
CYP2C19 P33261 1/20 0.44
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
LPAR2 Q9HBW0 1/20 0.33
LPAR3 Q9UBY5 1/20 0.33
TSHR P16473 2/20 0.32
TPI1 P60174 1/20 0.32
MAPK1 P28482 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
S1PR4 O95977 1/20 0.30
S1PR1 P21453 1/20 0.30
S1PR3 Q99500 1/20 0.30
S1PR5 Q9H228 1/20 0.30

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
Phosphoric Acid SCHEMBL22773414 0.80 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4441062 0.78 ALDH1A1 (0.49) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL288412 0.77 TPI1 (0.33) ALDH1A1TPI1S1PR4S1PR1S1PR3
SCHEMBL24711596 0.77 ALDH1A1 (0.42) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL41598 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL16805865 0.77 ALDH1A1 (0.47) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL24711414 0.76 MEN1 (0.39) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL460924 0.75 ALDH1A1 (0.53) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL4591765 0.75 ALDH1A1 (0.46) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1
SCHEMBL17522061 0.75 ALDH1A1 (0.48) ALDH1A1CYP3A4CYP2C9CYP2C19MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1313345-A Sulfonate copolymer containing phosphorus and its preparing process and application UNIV XIANGTAN (CN) 2001-09-19 CN claimed
US-9206342-B2 Phosphonate-containing polymer and use thereof and phosphonate-containing polymer viscosity reducer for drilling fluid CHINA PETROLEUM & CHEMICAL CORPORATION (CN) 2015-12-08 US disclosed
US-8680203-B2 Process for producing a particulate nanocomposite material BASF SE (DE) 2014-03-25 US disclosed
US-20140080988-A1 PHOSPHONATE-CONTAINING POLYMER AND USE THEREOF AND PHOSPHONATE-CONTAINING POLYMER VISCOSITY REDUCER FOR DRILLING FLUID SINOPEC ZHONGYUAN OILFIELD SERVICE CORPORATION DRILLING ENGINEERING RESEARCH INSTITUTE (CN) 2014-03-20 US disclosed
EP-2427466-A1 PROCESS FOR PRODUCING A PARTICULATE NANOCOMPOSITE MATERIAL BASF SE (DE) 2012-03-14 EP disclosed
US-20120052300-A1 PROCESS FOR PRODUCING A PARTICULATE NANOCOMPOSITE MATERIAL BASF SE (DE) 2012-03-01 US disclosed
WO-2010128144-A1 PROCESS FOR PRODUCING A PARTICULATE NANOCOMPOSITE MATERIAL BASF SE (DE) 2010-11-11 WO disclosed
CN-1470464-A Efficient water-saving phosphine-free water treatment chemical for environmental protection 淄博纳科水处理技术有限公司 2004-01-28 CN disclosed
CN-1059650-C Graft polymers of keto-aldehyde condensation or co-condensation products SUEDDEUTSCHE KALKSTICKSTOFF (DE) 2000-12-20 CN disclosed
CN-1128013-A graft polymers of ketone-aldehyde condensation and co-condensation products SUEDDEUTSCHE KALKSTICKSTOFF (DE) 1996-07-31 CN disclosed
EP-0161881-B1 HIGH MOLECULAR WEIGHT COMPOSITE MATERIALSFOR RELEASING A WATER SOLUBLE ORGANIC COMPOUND MITSUI TOATSU CHEMICALS, Inc. (JP) 1991-10-23 EP disclosed
EP-0161882-B1 ADSORPTION-DESORPTION METHOD FOR THE SEPARATION OF WATER SOLUBLE ORGANIC COMPOUNDS FROM AQUEOUS SOLUTION MITSUI TOATSU CHEMICALS, Inc. (JP) 1989-08-30 EP disclosed
EP-0161881-A2 High molecular weight composite materialsfor releasing a water soluble organic compound MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-11-21 EP disclosed
EP-0161882-A2 Adsorption-desorption method for the separation of water soluble organic compounds from aqueous solution MITSUI TOATSU CHEMICALS, Inc. (JP) 1985-11-21 EP disclosed