SCHEMBL10089271

SCHEMBL10089271

CCC(C)c1ccc(C(=O)OCCOC)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.49
ABCB11 O95342 1/20 0.49
ADRA2B P18089 1/20 0.49
OPRD1 P41143 1/20 0.49
SCN5A Q14524 1/20 0.49
TSHR P16473 5/20 0.47
ALDH1A1 P00352 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
ESR1 P03372 2/20 0.46
CHRM1 P11229 1/20 0.46
SLC6A2 P23975 1/20 0.46
KDR P35968 1/20 0.46
MAPT P10636 3/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HPGD P15428 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44

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
SCHEMBL14094425 0.96 CYP3A4 (0.55) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL18309253 0.96 CYP3A4 (0.55) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL10049486 0.85 TSHR (0.42) CYP3A4OPRD1TSHRALDH1A1TDP1
SCHEMBL16132834 0.85 TSHR (0.51) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL14022183 0.84 ESR1 (0.64) CYP3A4TSHRALDH1A1TDP1ESR1
SCHEMBL1789210 0.83 CA1 (0.59) CYP3A4TSHRALDH1A1TDP1ESR1
SCHEMBL9969969 0.83 TSHR (0.64) CYP3A4ABCB11ADRA2BOPRD1SCN5A
SCHEMBL14565941 0.82 THRB (0.42) CYP3A4TSHRALDH1A1TDP1ESR1
SCHEMBL25784268 0.82 THRB (0.44) CYP3A4TSHRALDH1A1TDP1ESR1
SCHEMBL10033550 0.82 CYP3A4 (0.43) CYP3A4ABCB11ADRA2BOPRD1SCN5A

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
US-20160339730-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR, MANUFACTURING METHOD THEREFOR, PLATE MANUFACTURING METHOD FOR LITHOGRAPHIC PRINTING PLATE, AND PRINTING METHOD FUJIFILM CORPORATION (JP) 2016-11-24 US disclosed
US-20120160118-A1 LITHOGRAPHIC PRINTING PLATE PRECURSOR AND LITHOGRAPHIC PRINTING METHOD FUJIFILM CORPORATION (JP) 2012-06-28 US disclosed
US-20080199804-A1 Including free radical binder polymer containing functional group having dipole moment of 3.8 debye; laser computer controlled direct plate making without alkali development; sensitivity, printing durability FUJIFILM CORPORATION (JP) 2008-08-21 US disclosed