SCHEMBL22083049

SCHEMBL22083049

C=C(C)C(=O)Oc1ccc(CCc2ccc(-c3ccc(CCCOC(=O)C(=C)COCCO)cc3CC)cc2CC)cc1

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 2/20 0.32
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPK1 P28482 1/20 0.30
CASP1 P29466 1/20 0.30
KMT2A Q03164 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
SLCO1B3 Q9NPD5 1/20 0.30
SLCO1B1 Q9Y6L6 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
SCHEMBL17484349 0.84 PTGS2 (0.35) FFAR4KMT2A
SCHEMBL17484401 0.79 PTAFR (0.33) FFAR4
SCHEMBL22459369 0.77 RARB (0.35) FFAR4LMNA
SCHEMBL17791331 0.76 ELANE (0.44) ALDH1A1LMNACYP3A4KMT2ASMN1; SMN2
SCHEMBL22459385 0.75 POLB (0.40) FFAR4MAPK1
SCHEMBL17484392 0.74 TSHR (0.40) LMNA
SCHEMBL17484455 0.74 TSHR (0.40) LMNA
SCHEMBL19804701 0.74 CYP4A11 (0.37) FFAR4
SCHEMBL22668755 0.74 POLB (0.38) FFAR4KMT2A
SCHEMBL17484351 0.74 ELANE (0.41) KMT2ASMN1; SMN2

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-2020116380-A1 COMPOUND, LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY ELEMENT JNC株式会社 2020-06-11 WO disclosed