SCHEMBL28969675

SCHEMBL28969675

O=C(O)CCCOc1ccc(-c2ccc(OCc3ccccc3)nc2OCc2ccccc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ FFAR4 Q5NUL3 7/20 0.51
▸ FFAR1 O14842 9/20 0.47
▸ GABRA1 P14867 2/20 0.47
▸ GABRB2 P47870 2/20 0.47
▸ CYSLTR2 Q9NS75 1/20 0.46
▸ CYSLTR1 Q9Y271 1/20 0.46
▸ ESR1 P03372 1/20 0.46
▸ GSTP1 P09211 1/20 0.44
▸ PTGER4 P35408 1/20 0.43
▸ PTGER3 P43115 1/20 0.43
▸ AKR1B1 P15121 1/20 0.43

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
SCHEMBL28969658 0.96 LTB4R (0.47) FFAR4FFAR1GABRA1GABRB2CYSLTR2
SCHEMBL24847986 0.88 GSTP1 (0.47) GSTP1
SCHEMBL30179980 0.88 GSTP1 (0.47) GSTP1
SCHEMBL25033937 0.87 FFAR4 (0.40) FFAR4GSTP1
SCHEMBL31171204 0.84 GSTP1 (0.43) GSTP1
SCHEMBL31522159 0.81 NR4A1 (0.52) —
SCHEMBL26093766 0.81 ACACB (0.42) GSTP1
SCHEMBL24207230 0.80 LMNA (0.47) GSTP1
SCHEMBL26641259 0.79 GRM5 (0.43) GABRA1GSTP1
SCHEMBL31152762 0.79 L3MBTL1 (0.45) —

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
CN-116322700-A Novel PLK1 degradation inducing compounds 厄普特拉株式会社 2023-06-23 — — CN disclosed
CN-115819423-A ProTAC compound of Reidesciclovir or intermediate thereof, preparation method thereof and application of anti-EV 71 武汉大学 2023-03-21 — — CN disclosed
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