SCHEMBL21917766

SCHEMBL21917766

C=CC(=O)OCCOc1ccc(-c2cc(F)c(OCCOC(=O)C=C)c(CC)c2)cc1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 4/20 0.50
▸ RARB P10826 5/20 0.43
▸ RARA P10276 1/20 0.43
▸ TSHR P16473 3/20 0.38
▸ HPGD P15428 1/20 0.38
▸ ALDH1A1 P00352 2/20 0.37
▸ TP53 P04637 2/20 0.37
▸ HIF1A Q16665 2/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 1/20 0.36
▸ MEN1 O00255 2/20 0.34
▸ KMT2A Q03164 2/20 0.34
▸ MAPT P10636 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ PTGER4 P35408 1/20 0.34
▸ ERN1 O75460 1/20 0.34
▸ DHFR P00374 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
SCHEMBL19794860 0.91 THRB (0.57) THRBRARBRARATSHRHPGD
SCHEMBL19794869 0.83 THRB (0.48) THRBRARBRARATSHRHPGD
SCHEMBL21917767 0.81 RARB (0.45) RARBRARAALDH1A1FFAR1FFAR4
SCHEMBL9418508 0.80 THRB (0.75) THRBRARBTSHRHPGDALDH1A1
SCHEMBL21342384 0.80 THRB (0.45) THRBRARBRARATSHRALDH1A1
SCHEMBL19801498 0.80 THRB (0.44) THRBRARBRARATSHRHPGD
SCHEMBL25796355 0.79 THRB (0.65) THRBTSHRHPGDALDH1A1TP53
SCHEMBL24804854 0.79 THRB (0.69) THRBRARBRARATSHRHPGD
SCHEMBL19794838 0.78 THRB (0.44) THRBRARBRARATSHRALDH1A1
SCHEMBL25123471 0.78 THRB (0.60) THRBRARBRARATSHRHPGD

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-3293245-B1 REACTIVE MESOGEN AND LIQUID CRYSTAL COMPOSITION INCLUDING THE SAME SAMSUNG DISPLAY CO LTD (KR) 2020-04-15 — — EP disclosed
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