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SCHEMBL270458

SCHEMBL270458

CCCC(C)(C)C(=O)N(Cc1ccccc1)c1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(N(Cc3ccccc3)C(=O)C(C)(C)CCC)c2F)c1F.CCCCN(C(=O)c1ccc(Cl)cc1)c1ccc(F)c([Ti](C2=CC=CC2)(C2=CC=CC2)c2c(F)ccc(N(CCCC)C(=O)c3ccc(Cl)cc3)c2F)c1F

nearest known ligand 0.33

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 3/20 0.33
▸ LPAR1 Q92633 1/20 0.32
▸ LPAR5 Q9H1C0 1/20 0.32
▸ TMEM97 Q5BJF2 2/20 0.31
▸ SIGMAR1 Q99720 2/20 0.31
▸ LMNA P02545 2/20 0.31
▸ AGER Q15109 1/20 0.31
▸ MLYCD O95822 1/20 0.31
▸ RIPK1 Q13546 1/20 0.31
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC6 Q9UBN7 1/20 0.30
▸ MEN1 O00255 1/20 0.30
▸ POLB P06746 1/20 0.30
▸ OPRM1 P35372 1/20 0.30
▸ OPRD1 P41143 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ LIMK1 P53667 1/20 0.30
▸ LIMK2 P53671 1/20 0.30
▸ STAT3 P40763 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
SCHEMBL482535 0.89 RIPK1 (0.38) LMNARIPK1POLB
SCHEMBL482957 0.87 S1PR1 (0.39) S1PR1HDAC1
SCHEMBL28600368 0.86 S1PR1 (0.39) S1PR1
SCHEMBL482967 0.84 S1PR1 (0.40) S1PR1
SCHEMBL482918 0.84 MLYCD (0.37) S1PR1LPAR1LPAR5MLYCDHDAC1
SCHEMBL483195 0.84 RIPK1 (0.31) RIPK1
SCHEMBL482766 0.84 MLYCD (0.33) LMNAMLYCDRIPK1MEN1KMT2A
SCHEMBL5179845 0.83 MLYCD (0.34) MLYCDMEN1KMT2A
SCHEMBL6662428 0.83 PDK1 (0.33) S1PR1LPAR1LPAR5POLB
SCHEMBL482515 0.83 PPARG (0.31) —

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-8133654-B2 Laser-decomposable resin composition and laser-decomposable pattern-forming material and flexographic printing plate precursor of laser engraving type using the same FUJIFILM CORPORATION (JP) 2012-03-13 — — US disclosed
US-20090099320-A1 LASER-DECOMPOSABLE RESIN COMPOSITION AND LASER-DECOMPOSABLE PATTERN-FORMING MATERIAL AND FLEXOGRAPHIC PRINTING PLATE PRECURSOR OF LASER ENGRAVING TYPE USING THE SAME FUJIFILM CORPORATION (JP) 2009-04-16 — — US disclosed