SCHEMBL3262082

SCHEMBL3262082

Cc1cc(OC(C)C)n(Cc2ccccc2)n1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
SLC6A4 P31645 1/20 0.44
PTGS2 P35354 1/20 0.43
KDM4E B2RXH2 1/20 0.42
POLB P06746 5/20 0.42
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
SMYD3 Q9H7B4 2/20 0.41
KCNJ6 P48051 1/20 0.39
KCNJ5 P48544 1/20 0.39
KCNJ3 P48549 1/20 0.39
P2RX7 Q99572 1/20 0.39
GAA P10253 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
SCHEMBL28113595 0.78 HTR2A (0.39) HTR2AHTR2CSLC6A4PTGS2KDM4E
SCHEMBL27689316 0.78 PTGS2 (0.45) HTR2AHTR2CSLC6A4PTGS2KDM4E
SCHEMBL5120984 0.77 SMN1; SMN2 (0.46) HTR2AHTR2CSLC6A4POLBMEN1
SCHEMBL3265521 0.76 POLB (0.45) PTGS2KDM4EPOLBMEN1CYP1A2
SCHEMBL3322508 0.75 LMNA (0.61) PTGS2KDM4EPOLBCYP2C19SMN1; SMN2
SCHEMBL3262792 0.73 MAPK1 (0.53) KDM4EPOLBCYP1A2CYP2C19SMN1; SMN2
SCHEMBL1374365 0.72 POLB (0.73) PTGS2KDM4EPOLBMEN1CYP1A2
SCHEMBL12402397 0.72 PTGS2 (0.48) PTGS2KDM4EPOLBMEN1KMT2A
SCHEMBL17673290 0.72 PTGS2 (0.48) PTGS2KDM4EPOLBMEN1KMT2A
SCHEMBL13991168 0.72 PTGS2 (0.42) PTGS2KMT2ASMN1; SMN2

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-2217640-A1 POLYURETHANE FOAM CONTAINING SILICON Wacker Chemie AG (DE) 2010-08-18 EP disclosed
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
WO-2010015657-A2 NEW ALKOXYPYRAZOLES INSTITUT PASTEUR (FR) 2010-02-11 WO disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
EP-2151433-A1 Alkoxypyrazoles and the process for their preparation Institut Pasteur (FR) 2010-02-10 EP disclosed
WO-2009071510-A1 POLYURETHANE FOAM CONTAINING SILICON WACKER CHEMIE AG (DE) 2009-06-11 WO disclosed
EP-1996638-A2 FOAMS CONTAINING SILICON Wacker Chemie AG (DE) 2008-12-03 EP disclosed
WO-2007107435-A2 SILICONE CONTAINING FOAMS WACKER CHEMIE AG (DE) 2007-09-27 WO disclosed
EP-0362318-B1 2,3-DIFLUOROBIPHENYLS MERCK PATENT GmbH (DE) 1993-08-04 EP disclosed