SCHEMBL4527585

SCHEMBL4527585

O=C(O)C1(C23CCCCC2O3)CCC2OC2C1

nearest known ligand 0.32

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 2/20 0.32
TP53 P04637 1/20 0.32
NFKB1 P19838 1/20 0.32
CYP2C19 P33261 1/20 0.32
THPO P40225 1/20 0.32
STAT6 P42226 1/20 0.32
HIF1A Q16665 1/20 0.32
NPC1 O15118 1/20 0.32
GMNN O75496 1/20 0.32
LMNA P02545 1/20 0.32
MTOR P42345 1/20 0.32
RAB9A P51151 1/20 0.32
BLM P54132 1/20 0.32
PMP22 Q01453 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32

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
SCHEMBL17651479 0.85 MAPT (0.33) NPSR1
SCHEMBL28003542 0.81 MAPK1 (0.33) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL27993146 0.79 LMNA (0.39) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL28539549 0.73 MAPK1 (0.34) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL6050448 0.72
SCHEMBL28756583 0.71 MAPK1 (0.32) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL4431574 0.67 FFAR3 (0.39) MAPK1TP53NFKB1CYP2C19THPO
SCHEMBL21810736 0.67 CYP19A1 (0.31)
Acrylic Acid SCHEMBL29593577 0.66 LMNA (0.37) LMNA
SCHEMBL30423487 0.66

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090014691-A1 Dispersions, films, coatings and compositions IMPERIAL CHEMICAL INDUSTRIES PLC. (GB) 2009-01-15 US disclosed
EP-1991602-A2 COMPOSITION AND METHOD OF USE Sabic Innovative Plastics IP B.V. (NL) 2008-11-19 EP disclosed
WO-2007103007-A2 COMPOSITION AND METHOD OF USE SABIC INNOVATIVE PLASTICS IP B.V. (NL) 2007-09-13 WO disclosed
EP-1794085-A1 DISPERSIONS, FILMS, COATINGS AND COMPOSITES Imperial Chemical Industries Plc. (GB) 2007-06-13 EP disclosed
WO-2006037949-A1 DISPERSIONS, FILMS, COATINGS AND COMPOSITES IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 2006-04-13 WO disclosed
EP-1476504-A1 THERMOPLACTIC RESIN COMPOSITION AND METHOD 0F IMPROVING APPEARANCE GENERAL ELECTRIC COMPANY (US) 2004-11-17 EP disclosed
WO-2003066724-A1 THERMOPLACTIC RESIN COMPOSITION AND METHOD 0F IMPROVING APPEARANCE GENERAL ELECTRIC COMPANY (US) 2003-08-14 WO disclosed
EP-0684967-A1 CURABLE COMPOSITE MATERIALS ICI COMPOSITES INC. (US) 1995-12-06 EP disclosed
WO-1994019398-A1 CURABLE COMPOSITE MATERIALS ICI COMPOSITES INC. (US) 1994-09-01 WO disclosed
EP-0365168-A2 Moulding composition comprising a thermoset component and thermoplast component IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1990-04-25 EP disclosed
EP-0331183-A2 Compositions of polyether compounds, epoxy compounds and processes for production thereof DAICEL CHEMICAL INDUSTRIES, LTD. (JP) 1989-09-06 EP disclosed
EP-0311349-A2 Polymer composition IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1989-04-12 EP disclosed