SCHEMBL5416441

SCHEMBL5416441

C=C(C)C(=O)OC(=O)c1ccccc1C(=O)OCCCO

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.54
TDP1 Q9NUW8 5/20 0.54
L3MBTL1 Q9Y468 2/20 0.54
CYP3A4 P08684 3/20 0.53
MAPK1 P28482 2/20 0.53
TP53 P04637 1/20 0.53
ALDH1A1 P00352 7/20 0.51
LMNA P02545 1/20 0.51
HSD17B10 Q99714 2/20 0.44
POLB P06746 2/20 0.43
KDM4E B2RXH2 2/20 0.43
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
PTGS2 P35354 1/20 0.40
APEX1 P27695 1/20 0.38
HTT P42858 1/20 0.38

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
SCHEMBL3972957 0.91 ALDH1A1 (0.51) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL31304736 0.90 TSHR (0.55) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27879074 0.89 TSHR (0.71) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28034809 0.87 TSHR (0.53) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28204960 0.87 TSHR (0.69) TSHRTDP1L3MBTL1CYP3A4MAPK1
Ethylene Glycol SCHEMBL4599267 0.86 TSHR (0.44) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27895840 0.86 TSHR (0.73) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27879051 0.86 TSHR (0.73) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL16990763 0.85 ALDH1A1 (0.70) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL27465015 0.85 TSHR (0.60) TSHRTDP1L3MBTL1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105008411-A BLOCKED ISOCYANATO GROUP-CONTAINING POLYMER, COMPOSITION CONTAINING POLYMER, AND APPLICATIONS THEREOF SHOWA DENKO KK 2015-10-28 CN disclosed
US-7232857-B2 Radiation hardenable adhesive composition containing dispersed natural rubber fine particles TOPPAN FORMS CO., LTD. (JP) 2007-06-19 US disclosed
EP-1398360-B1 RADIATION HARDENABLE ADHESIVE COMPOSITION CONTAINING DISPERSED NATURAL RUBBER FINE PARTICLES TOPPAN FORMS CO LTD (JP) 2006-08-16 EP disclosed
US-20050080181-A1 Radiation hardenable adhesive composition containing dispersed natural rubber fine particles TOPPAN FORMS CO., LTD. (JP) 2005-04-14 US disclosed
EP-1398360-A1 RADIATION HARDENABLE ADHESIVE COMPOSITION CONTAINING DISPERSED NATURAL RUBBER FINE PARTICLES Toppan Forms Co., Ltd (JP) 2004-03-17 EP disclosed