SCHEMBL13732897

SCHEMBL13732897

C=C(C)C(=O)OCCOCCNC(=O)n1nc(C)cc1C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.41
TSHR P16473 1/20 0.39
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
KMT2A Q03164 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ASAH1 Q13510 1/20 0.37
HPGD P15428 4/20 0.37
LMNA P02545 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ENPP3 O14638 1/20 0.36
ALPL P05186 1/20 0.36
XIAP P98170 1/20 0.36
TP53 P04637 1/20 0.35
CASP1 P29466 1/20 0.35

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
SCHEMBL272665 0.94 TSHR (0.41) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL18720153 0.84 TSHR (0.43) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL273285 0.77 TSHR (0.41) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL24218338 0.75 ASAH1 (0.43) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL12634324 0.75 POLB (0.36) THRBTSHRALDH1A1MEN1CYP1A2
SCHEMBL278927 0.75 THRB (0.33) THRBTSHRALDH1A1MEN1CYP1A2
SCHEMBL3810000 0.73 ASAH1 (0.60) TSHRALDH1A1MEN1CYP1A2CYP3A4
SCHEMBL13475292 0.73 THRB (0.59) THRBTSHRALDH1A1MEN1KMT2A
SCHEMBL24293955 0.72 LMNA (0.42) TSHRALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL16309315 0.71 THRB (0.61) THRBTSHRALDH1A1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090214768-A1 PROCESS FOR PRODUCING MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-08-27 US disclosed
US-20090214768-A1 PROCESS FOR PRODUCING MAGNETIC RECORDING MEDIUM FUJIFILM CORPORATION (JP) 2009-08-27 US disclosed