SCHEMBL5084710

SCHEMBL5084710

C=CC(=O)OCC(O)COc1ccccc1C(C)(C)c1ccccc1OCC(O)COC(=O)C=C

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 2/20 0.48
CYP1A2 P05177 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MAPT P10636 1/20 0.45
ADRB2 P07550 2/20 0.41
ADRB1 P08588 2/20 0.41
ADRB3 P13945 1/20 0.41
THRB P10828 1/20 0.40
TSHR P16473 1/20 0.40
ALDH1A1 P00352 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC22A1 O15245 1/20 0.39
HTR1A P08908 1/20 0.39
CYP2D6 P10635 1/20 0.39
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
ADRA1A P35348 1/20 0.39
ABCB1 P08183 1/20 0.39

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
SCHEMBL5080217 0.90 KDM4E (0.42) SMN1; SMN2LMNACYP1A2KDM4EMAPT
SCHEMBL5081110 0.86 CYP1A2 (0.47) SMN1; SMN2LMNACYP1A2KDM4EMAPT
SCHEMBL12573379 0.83 KDM4E (0.57) SMN1; SMN2LMNACYP1A2KDM4EMAPT
SCHEMBL18492347 0.83 LMNA (0.70) SMN1; SMN2LMNACYP1A2KDM4EMAPT
SCHEMBL14069125 0.82 LMNA (0.50) SMN1; SMN2LMNACYP1A2KDM4EADRB2
SCHEMBL29376964 0.82 CYP1A2 (0.48) SMN1; SMN2LMNACYP1A2KDM4EMAPT
SCHEMBL1109621 0.82 CYP1A2 (0.48) SMN1; SMN2LMNACYP1A2KDM4EMAPT
SCHEMBL14717132 0.82 TSHR (0.41) LMNACYP1A2KDM4EADRB2ADRB1
SCHEMBL11226243 0.81 LMNA (0.49) SMN1; SMN2LMNACYP1A2KDM4EMAPT
SCHEMBL29884378 0.81 THRB (0.57) SMN1; SMN2LMNACYP1A2KDM4EMAPT

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
EP-1548039-B1 PHOTOPOLYMERIZABLE COMPOSITION AND USE THEREOF MITSUI CHEMICALS INC (JP) 2008-08-13 EP disclosed
US-7307107-B2 Photopolymerizable composition and use thereof MITSUI CHEMICALS, INC. (JP) 2007-12-11 US disclosed
US-20060003261-A1 Photopolymerizable composition and use thereof MITSUI CHEMICALS, INC. (JP) 2006-01-05 US disclosed
EP-1548039-A1 PHOTOPOLYMERIZABLE COMPOSITION AND USE THEREOF Mitsui Chemicals, Inc. (JP) 2005-06-29 EP disclosed
US-4273799-A POLYFUNCTIONAL MONOMERS CONTAINING (METH)ACRYLOYLOXY GROUPS MITSUBISHI RAYON CO., LTD. (JP) 1981-06-16 US disclosed