SCHEMBL5818147

SCHEMBL5818147

C=CCNC(=O)c1ccc(C=C)cc1

nearest known ligand 0.65

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 7/20 0.65
ALDH1A1 P00352 3/20 0.65
LMNA P02545 2/20 0.65
SMN1; SMN2 Q16637 4/20 0.64
PKM P14618 2/20 0.63
RAB9A P51151 4/20 0.59
MEN1 O00255 1/20 0.54
KMT2A Q03164 1/20 0.54
TAS1R3 Q7RTX0 2/20 0.51
TAS1R1 Q7RTX1 2/20 0.51
MAPT P10636 2/20 0.49
POLB P06746 1/20 0.47
CYP1A2 P05177 2/20 0.47
NPC1 O15118 2/20 0.47
KDM4E B2RXH2 2/20 0.47
CYP3A4 P08684 1/20 0.47
GAA P10253 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 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
SCHEMBL2385213 0.90 HPGD (0.76) HPGDALDH1A1LMNASMN1; SMN2PKM
SCHEMBL381841 0.83 TAS1R3 (0.53) HPGDALDH1A1LMNASMN1; SMN2PKM
SCHEMBL5884635 0.83 HPGD (0.67) HPGDALDH1A1LMNASMN1; SMN2PKM
SCHEMBL9068167 0.81 PKM (0.68) HPGDALDH1A1LMNASMN1; SMN2PKM
SCHEMBL17426924 0.81 HPGD (0.65) HPGDALDH1A1LMNASMN1; SMN2PKM
SCHEMBL24227389 0.81 RAB9A (0.69) HPGDALDH1A1LMNASMN1; SMN2PKM
SCHEMBL13197622 0.81 TAS1R3 (0.59) HPGDALDH1A1LMNASMN1; SMN2PKM
SCHEMBL28804019 0.81 SMN1; SMN2 (0.69) HPGDALDH1A1LMNASMN1; SMN2PKM
SCHEMBL13397394 0.81 HPGD (0.65) HPGDALDH1A1LMNASMN1; SMN2PKM
SCHEMBL17426921 0.81 HPGD (0.65) HPGDALDH1A1LMNASMN1; SMN2PKM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20050276781-A1 Molecularly imprinted phosphate binders for therapeutic use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2005-12-15 US claimed
CN-112409538-B Molecularly imprinted polymer capable of being combined with acetate, preparation method thereof, pharmaceutical composition containing molecularly imprinted polymer and pharmaceutical application of molecularly imprinted polymer 利宝莱科学有限公司 2022-08-26 CN disclosed
US-10940459-B1 Molecularly imprinted polymers for sequestering acetate and other molecules CLAVES LIFE SCIENCES LIMITED (HK) 2021-03-09 US disclosed
CN-112409538-A Molecularly imprinted polymer capable of being combined with acetate, preparation method thereof, pharmaceutical composition containing molecularly imprinted polymer and pharmaceutical application of molecularly imprinted polymer 克莱夫思生命科学有限公司 2021-02-26 CN disclosed
US-10828322-B1 Molecularly imprinted polymers for sequestering acetate and other molecules CLAVES LIFE SCIENCES LIMITED (HK) 2020-11-10 US disclosed
WO-2006091530-A2 COMBINATORIAL HYDROGEL FORMULATION TRANSFORM PHARMACEUTICALS, INC. (US) 2006-08-31 WO disclosed
US-20060188940-A1 Combinatorial hydrogel formulation TRANSFORM PHARMACEUTICALS, INC. 2006-08-24 US disclosed
US-20050276781-A1 Molecularly imprinted phosphate binders for therapeutic use UNIVERSITY OF FLORIDA RESEARCH FOUNDATION, INC. 2005-12-15 US disclosed
US-20040062745-A1 Molecularly imprinted polymers for the treatment and diagnosis of medical conditions GREEN BERNARD S (IL) 2004-04-01 US disclosed
US-6638498-B2 A compound, comprising a molecularly imprinted polymer featuring at least one functional monomer selected from the vinyl hydroxypyridine; monomers selected from 4-vinylbenzamide and N-alkyl or N,N-dialkyl derivatives SEMOREX INC. 2003-10-28 US disclosed
US-20020015690-A1 Molecularly imprinted polymers for the treatment and diagnosis of medical conditions SEMOREX INC. 2002-02-07 US disclosed