SCHEMBL19856063

SCHEMBL19856063

C=CC(=O)N(C)CCOc1ccc(-c2ccc(OC(O)C3CCC(CCCCC)CC3)cc2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ S1PR1 P21453 2/20 0.35
▸ S1PR3 Q99500 2/20 0.35
▸ FFAR4 Q5NUL3 5/20 0.34
▸ ITGB3 P05106 2/20 0.34
▸ ITGA2B P08514 2/20 0.34
▸ BTK Q06187 8/20 0.34
▸ RARA P10276 1/20 0.34
▸ RARB P10826 1/20 0.34
▸ ABCB11 O95342 1/20 0.33
▸ EGFR P00533 1/20 0.33
▸ ERBB2 P04626 1/20 0.33
▸ TEC P42680 1/20 0.33
▸ TXK P42681 1/20 0.33
▸ BLK P51451 1/20 0.33
▸ BMX P51813 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ ITK Q08881 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ ERBB4 Q15303 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33

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
SCHEMBL20370453 0.88 BCHE (0.37) S1PR1S1PR3BTKRARARARB
SCHEMBL19854035 0.85 BTK (0.41) S1PR1S1PR3BTKRARARARB
SCHEMBL19854626 0.85 BTK (0.41) FFAR4BTKRARARARBABCB11
SCHEMBL19722392 0.82 S1PR1 (0.37) S1PR1S1PR3FFAR4ITGB3ITGA2B
SCHEMBL20370528 0.81 BTK (0.39) S1PR1S1PR3BTKRARARARB
SCHEMBL19855481 0.81 BTK (0.40) S1PR3FFAR4ITGB3ITGA2BBTK
SCHEMBL19856065 0.79 RARB (0.41) S1PR1S1PR3FFAR4BTKRARB
SCHEMBL19854448 0.79 RARB (0.47) S1PR1S1PR3FFAR4RARARARB
SCHEMBL19855814 0.78 THRB (0.42) ITGB3ITGA2B
SCHEMBL19853908 0.78 RAB9A (0.43) S1PR3RARB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO disclosed
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