SCHEMBL2830159

SCHEMBL2830159

CCCCN(CC(F)Cc1ccccc1[Ti](C1=CC=CC1)(C1=CC=CC1)c1ccccc1CC(F)CN(CCCC)C(=O)c1ccc(Cl)cc1F)C(=O)c1ccc(Cl)cc1F

nearest known ligand 0.33

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
OPRK1 P41145 1/20 0.32
GABRA1 P14867 2/20 0.31
GABRB2 P47870 2/20 0.31

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
SCHEMBL2833726 0.74
SCHEMBL2830162 0.65 EGFR (0.40) ALDH1A1HPGDOPRK1
SCHEMBL9155821 0.63 GABRA1 (0.35) GABRA1GABRB2
SCHEMBL482957 0.61 S1PR1 (0.39) ALDH1A1HPGD
SCHEMBL28671251 0.61 LPAR1 (0.44) ALDH1A1HPGDOPRK1GABRA1GABRB2
SCHEMBL3443494 0.61 FLT1 (0.36) ALDH1A1HPGD
SCHEMBL2830157 0.61 KIF11 (0.36)
SCHEMBL483228 0.61 TP53 (0.36) ALDH1A1HPGD
SCHEMBL482918 0.60 MLYCD (0.37) ALDH1A1HPGD
SCHEMBL2712457 0.60 FLT1 (0.35) ALDH1A1HPGD

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-7741005-B2 A planographic printing plate precursor comprising: an aluminum support; and a photosensitive layer including a polymerization initiator, a polymerizable compound and a binder polymer; an oxygen barrier layer; and a protective layer including a filler; capable of image formation FUJIFILM CORPORATION (JP) 2010-06-22 US disclosed
US-20070231740-A1 A planographic printing plate precursor comprising: an aluminum support; and a photosensitive layer including a polymerization initiator, a polymerizable compound and a binder polymer; an oxygen barrier layer; and a protective layer including a filler; capable of image formation FUJIFILM CORPORATION (JP) 2007-10-04 US disclosed