SCHEMBL8970953

SCHEMBL8970953

C=Cc1ccc(OC(=O)OC(C)c2ccc([N+](=O)[O-])cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.46
GAA P10253 2/20 0.44
KMT2A Q03164 3/20 0.42
MEN1 O00255 2/20 0.42
PTGS2 P35354 2/20 0.42
MAPT P10636 2/20 0.42
BCL9 O00512 1/20 0.42
CTNNB1 P35222 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX12 P18054 1/20 0.42
ATM Q13315 1/20 0.42
ALDH1A1 P00352 2/20 0.41
HPGD P15428 1/20 0.41
MAOB P27338 2/20 0.40
NPC1 O15118 1/20 0.40
MAOA P21397 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
POLB P06746 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
SCHEMBL31201617 0.85 HTR2A (0.49) HTR2AGAAKMT2AMAPTBCL9
SCHEMBL30373891 0.84 HTR2A (0.48) HTR2AGAAKMT2AMEN1BCL9
SCHEMBL30374151 0.84 HTR2A (0.48) HTR2AGAAKMT2AMEN1BCL9
SCHEMBL1872356 0.84 MGLL (0.53) HTR2AGAAKMT2AMAPTBCL9
SCHEMBL8818613 0.83 ALDH1A1 (0.52) HTR2AGAAKMT2AMAPTBCL9
SCHEMBL389680 0.83 ALDH1A1 (0.52) HTR2AGAAKMT2AMAPTBCL9
SCHEMBL21570247 0.83 ALDH1A1 (0.52) HTR2AGAAKMT2AMAPTBCL9
SCHEMBL30373864 0.81 HTR2A (0.46) HTR2AGAAKMT2AMEN1MAPT
SCHEMBL11592383 0.80 NPC1 (0.50) GAAKMT2AMEN1MAPTCYP1A2
SCHEMBL31476222 0.78 GAA (0.47) HTR2AGAABCL9CTNNB1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0264908-B1 High sensitivity resists having autodecomposition temperatures greater than about 160 C IBM (US) 1996-03-20 EP disclosed
US-4931379-A ADDITION POLYMERS HAVING PENDANT ACID-LABILE GROUPS, E.G CARBONATES, AND SIDECHAINS FOR ADDED STABILITY; SEMICONDUCTORS; MICROLITHOGRAPHY INTERNATIONAL BUSINESS MACHINES CORPORATION (US) 1990-06-05 US disclosed
EP-0264908-A2 High sensitivity resists having autodecomposition temperatures greater than about 160 C International Business Machines Corporation (US) 1988-04-27 EP disclosed