SCHEMBL3810149

SCHEMBL3810149

C=CCN(CC=C)C(=O)c1ccc(C=C)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
ALDH1A1 P00352 8/20 0.41
TAS1R3 Q7RTX0 2/20 0.41
TAS1R1 Q7RTX1 2/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
LMNA P02545 4/20 0.40
HPGD P15428 2/20 0.40
ALOX12 P18054 1/20 0.40
CCR6 P51684 1/20 0.40
KDM4E B2RXH2 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
GAA P10253 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
HTT P42858 1/20 0.38
POLB P06746 1/20 0.37
TSHR P16473 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL176438 0.90 MEN1 (0.47) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL30578615 0.83 TSHR (0.46) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9657085 0.83 ALDH5A1 (0.48) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL4905734 0.81 HPGD (0.56) MEN1KMT2AALDH1A1TAS1R3TAS1R1
SCHEMBL31516874 0.81 ALDH1A1 (0.51) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL1593720 0.81 KMT2A (0.45) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL14058649 0.81 KMT2A (0.45) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL31453528 0.81 SMN1; SMN2 (0.60) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL9067824 0.81 SMN1; SMN2 (0.49) MEN1KMT2AALDH1A1SMN1; SMN2LMNA
SCHEMBL176484 0.81 TSHR (0.53) MEN1KMT2AALDH1A1SMN1; SMN2LMNA

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
US-20020015690-A1 Molecularly imprinted polymers for the treatment and diagnosis of medical conditions SEMOREX INC. 2002-02-07 US claimed
US-20100099590-A1 Oil dispersible polymer nanoparticles QUEEN'S UNIVERSITY AT KINGSTON (CA) 2010-04-22 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
US-6200589-B1 MODIFIED POLYISOBUTYLENE OR BLENDS THEREOF THE UNIVERSITY OF AKRON 2001-03-13 US disclosed
US-5073381-A Sustained drug release UNIVERSITY OF AKRON (US) 1991-12-17 US disclosed