SCHEMBL2960847

SCHEMBL2960847

C=C(C(=O)O)C(C=Cc1ccccc1)CC1CO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.40
CYP1A2 P05177 2/20 0.38
CNR2 P34972 1/20 0.36
HAO1 Q9UJM8 1/20 0.35
PAM P19021 2/20 0.34
HDAC3 O15379 2/20 0.34
HDAC4 P56524 2/20 0.34
HDAC1 Q13547 2/20 0.34
HDAC7 Q8WUI4 2/20 0.34
HDAC2 Q92769 2/20 0.34
HDAC10 Q969S8 2/20 0.34
HDAC11 Q96DB2 2/20 0.34
HDAC8 Q9BY41 2/20 0.34
HDAC6 Q9UBN7 2/20 0.34
HDAC9 Q9UKV0 2/20 0.34
HDAC5 Q9UQL6 2/20 0.34
ALDH1A1 P00352 3/20 0.33
GABBR2 O75899 1/20 0.33
GABRB1 P18505 1/20 0.33
GABRB2 P47870 1/20 0.33

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
Methacrylic Acid SCHEMBL15390177 0.82 ALDH1A1 (0.44) MGLLALDH1A1CYP2D6CYP2C9SMN1; SMN2
SCHEMBL4879288 0.78 MEN1 (0.45) CYP1A2CNR2HAO1PAMHDAC3
SCHEMBL2312542 0.77 ALDH1A1 (0.30) ALDH1A1
SCHEMBL10846825 0.76 CYP1A2 (0.44) MGLLCYP1A2CNR2PAMHDAC3
SCHEMBL2511761 0.76 CYP1A2 (0.42) CYP1A2CNR2HAO1PAMHDAC3
SCHEMBL8469949 0.76
Acrylonitrile SCHEMBL2543619 0.75 MGLL (0.34) MGLL
SCHEMBL27898508 0.75 MGLL (0.40) MGLLCYP1A2CNR2PAMALDH1A1
SCHEMBL8942463 0.75 AKR1C3 (0.41) MGLLALDH1A1CYP2C9RECQLCYP3A4
SCHEMBL4540736 0.75 ALDH1A1 (0.33) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3056534-B1 EXPANDABLE VINYL AROMATIC POLYMERIC COMPOSITIONS VERSALIS SPA (IT) 2019-04-10 EP claimed
US-7759038-B2 Toner, development unit and image forming apparatus using the same SEIKO EPSON CORPORATION (JP) 2010-07-20 US disclosed
US-20080153023-A1 Toner, Development Unit and Image Forming Apparatus Using the Same SEIKO EPSON CORPORATION (JP) 2008-06-26 US disclosed
WO-2005024003-A1 DEVELOPMENT OF AN ANIONIC SENSOR FOR LIVING CELLS : APPLICATION TO THE HUMAN GLYCINE RECEPTOR INSTITUT PASTEUR (FR) 2005-03-17 WO disclosed
EP-1514922-A1 Development of an anionic sensor for living cells: application to the human glycine receptor INSTITUT PASTEUR (FR) 2005-03-16 EP disclosed
EP-0974078-B1 TERNARY PHOTOINITIATOR SYSTEM FOR CURING OF EPOXY/POLYOL RESIN COMPOSITIONS MINNESOTA MINING & MFG (US) 2003-06-11 EP disclosed
US-4324679-A INCLUSION OF UNSATURATED COMPOUND TO REACT WITH ORGANOSULFUR DECOMPOSITION PRODUCTS OF PHOTOINITIATOR MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-04-13 US disclosed
US-4318766-A CURED COATING USING IODONIUM OR SULFONIUM PHOTOINITIATOR MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1982-03-09 US disclosed
US-4218531-A AROMATIC SULFONIUM COMPLEX SALT PHOTOINITIATOR MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1980-08-19 US disclosed