SCHEMBL28616820

SCHEMBL28616820

COC(=O)c1cccc(-c2ccc(OCC3CCN(C(=O)O)CC3)cc2C(F)(F)F)c1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ RBP4 P02753 1/20 0.46
▸ WDR5 P61964 1/20 0.41
▸ NR1H4 Q96RI1 1/20 0.40
▸ FFAR1 O14842 6/20 0.40
▸ AKR1C3 P42330 3/20 0.39
▸ AKR1C2 P52895 3/20 0.39
▸ DGAT2 Q96PD7 2/20 0.39
▸ FFAR4 Q5NUL3 1/20 0.39
▸ CHRM2 P08172 1/20 0.39
▸ CHRM4 P08173 1/20 0.39
▸ CHRM5 P08912 1/20 0.39
▸ CHRM1 P11229 1/20 0.39
▸ CHRM3 P20309 1/20 0.39
▸ F2 P00734 1/20 0.39

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
SCHEMBL28612285 0.90 SLC2A1 (0.48) RBP4
SCHEMBL23826018 0.83 FFAR1 (0.46) RBP4WDR5FFAR1FFAR4F2
SCHEMBL16697161 0.80 MET (0.44) NR1H4F2
SCHEMBL631819 0.76 DRD2 (0.52) —
SCHEMBL2089720 0.73 PARP10 (0.50) WDR5
SCHEMBL19400195 0.73 CYP4F2 (0.49) —
SCHEMBL23826968 0.73 GPR119 (0.52) —
SCHEMBL2811017 0.72 SLC2A1 (0.57) F2
SCHEMBL20190433 0.71 NR1H4 (0.60) NR1H4
SCHEMBL2999873 0.71 GPR119 (0.54) —

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
CN-113302184-A 1,3, 4-oxadiazolinone compounds and drugs 日本新药株式会社 2021-08-24 — — CN disclosed
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