SCHEMBL4580105

SCHEMBL4580105

CCCCN(Cc1ccc(Cl)cc1)c1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(N(CCCC)Cc3ccc(Cl)cc3)c2F)c1F

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.34
KCNH2 Q12809 6/20 0.33
CNR2 P34972 2/20 0.31
NR1H2 P55055 1/20 0.31
NR1H3 Q13133 1/20 0.31
CRHR1 P34998 1/20 0.30
GBA1 P04062 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
SCHEMBL4600375 0.81 ALDH1A1 (0.30) NR1H2NR1H3
SCHEMBL599292 0.81 TSHR (0.31)
SCHEMBL482957 0.80 S1PR1 (0.39) S1PR1
SCHEMBL28600368 0.79 S1PR1 (0.39) S1PR1
SCHEMBL29104886 0.78
SCHEMBL482967 0.77 S1PR1 (0.40) S1PR1CNR2
SCHEMBL17237535 0.76 SLC6A2 (0.31)
SCHEMBL483065 0.76
SCHEMBL482861 0.75
SCHEMBL270458 0.75 S1PR1 (0.33) S1PR1

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-7351773-B2 Polymerizable composition FUJIFILM CORPORATION (JP) 2008-04-01 US disclosed
US-20050023508-A1 Lithographic printing plate precursor; computer infrared laser development; storage stability, printing durability; water soluble or swellable polyamide or polyester containing unsaturated fuctionality, radically polymerizable compound, initiator and absorber FUJI PHOTO FILM CO., LTD. 2005-02-03 US disclosed