SCHEMBL20407564

SCHEMBL20407564

C=C(CO)CCOc1cc(OCCC(=C)CO)cc(-c2ccc(-c3ccc(-c4ccc(OCCCC)cc4)cc3)c(CC)c2)c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.39
▸ PTPN11 Q06124 2/20 0.38
▸ RARA P10276 1/20 0.38
▸ CYP3A4 P08684 3/20 0.38
▸ CYP2D6 P10635 3/20 0.38
▸ FFAR4 Q5NUL3 5/20 0.38
▸ FFAR1 O14842 4/20 0.38
▸ GPR84 Q9NQS5 1/20 0.37
▸ CYP19A1 P11511 2/20 0.36
▸ CYP2C9 P11712 2/20 0.36
▸ CYP2C19 P33261 2/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ MAPT P10636 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ GAA P10253 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36

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
SCHEMBL19855546 0.83 RARB (0.40) RARBPTPN11RARACYP3A4CYP2D6
SCHEMBL20407377 0.81 ITGB3 (0.35) PTPN11CYP3A4CYP2D6FFAR4CYP2C9
SCHEMBL20407662 0.81 CSF3R (0.35) FFAR4
SCHEMBL20407661 0.80 FFAR4 (0.35) RARBPTPN11CYP3A4FFAR4FFAR1
SCHEMBL20407519 0.80 CYP2C9 (0.39) FFAR4CYP2C9MAPTRAB9AMEN1
SCHEMBL20407597 0.79 PTPN11 (0.32) PTPN11
SCHEMBL20407548 0.79 FFAR4 (0.35) RARBRARACYP3A4FFAR4FFAR1
SCHEMBL20407488 0.78 FFAR4 (0.33) FFAR4CYP2C9MAPTRAB9AALDH1A1
SCHEMBL20407461 0.78 CNR2 (0.43) RARBRARACYP3A4FFAR1MEN1
SCHEMBL20407528 0.78 ALDH1A1 (0.48) RARBRARACYP3A4MAPTMEN1

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
EP-3351525-A1 POLYMERIZABLE POLAR COMPOUND, LIQUID CRYSTAL COMPOSITION, AND LIQUID CRYSTAL DISPLAY ELEMENT JNC Corporation (JP) 2018-07-25 — — EP disclosed
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