SCHEMBL4650904

SCHEMBL4650904

Fc1ccc(N(Cc2ccccc2)C2CCCCC2)c(F)c1[Ti](C1=CC=CC1)(C1=CC=CC1)c1c(F)ccc(N(Cc2ccccc2)C2CCCCC2)c1F

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.34
MTNR1A P48039 1/20 0.34
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
CYP2C19 P33261 1/20 0.33
SLC6A3 Q01959 1/20 0.33
G6PC1 P35575 1/20 0.32
USP2 O75604 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPK1 P28482 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL7763186 0.86 MEN1 (0.32) SLC6A2SLC6A4SLC6A3
SCHEMBL269339 0.78 ALDH1A1 (0.39) AGERMTNR1A
SCHEMBL17237535 0.77 SLC6A2 (0.31) SLC6A2SLC6A4
SCHEMBL483248 0.76 CYP2C19 (0.36) CYP2C19
SCHEMBL483001 0.76 TSHR (0.37) AGERMTNR1A
SCHEMBL4621746 0.75 AGER (0.42) AGERMTNR1ACYP1A2CYP3A4CYP2D6
SCHEMBL483042 0.75 POLB (0.40) CYP3A4CYP2C9CYP2C19
SCHEMBL482617 0.74 HDAC1 (0.36) AGERMTNR1A
SCHEMBL599292 0.74 TSHR (0.31)
SCHEMBL483067 0.73 HPGD (0.45) SLC6A2SLC6A4SLC6A3HPGDMAPK1

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-1685958-B1 Lithographic printing plate precursor and polymerizable composition FUJIFILM CORP (JP) 2008-09-10 EP disclosed
EP-1685958-A1 Lithographic printing plate precursor and polymerizable composition Fuji Photo Film Co., Ltd. (JP) 2006-08-02 EP disclosed
EP-1502735-A2 Lithographic printing plate precursor and polymerizable composition FUJI PHOTO FILM CO., LTD. (JP) 2005-02-02 EP disclosed