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Sugi Predict / Compounds / SCHEMBL9192050

SCHEMBL9192050

SCHEMBL9192050

C=CCCc1cccc(C(=O)O)c1-c1ccc(C#N)c(F)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CYP11B2 P19099 6/20 0.37
▸ CYP11B1 P15538 5/20 0.37
▸ CNR2 P34972 1/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ EGLN2 Q96KS0 2/20 0.35
▸ SLC22A12 Q96S37 2/20 0.34
▸ SIRT5 Q9NXA8 1/20 0.34

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
SCHEMBL9192052 0.83 CYP11B2 (0.37) CYP11B2CYP11B1SLC22A12
SCHEMBL9192514 0.77 SLC22A12 (0.40) CYP11B2CYP11B1KDM1ASLC22A12SIRT5
SCHEMBL9193119 0.72 XDH (0.43) CYP11B2CYP11B1SLC22A12
SCHEMBL9186976 0.71 MCL1 (0.44) CYP11B2CYP11B1
SCHEMBL27710717 0.71 CYP11B2 (0.54) CYP11B2CYP11B1CNR2EGLN2
SCHEMBL8676486 0.70 SYK (0.45) CYP11B2CYP11B1SLC22A12
SCHEMBL8678893 0.69 DAO (0.46) —
SCHEMBL8678897 0.69 SYK (0.43) CYP11B2CYP11B1SLC22A12
SCHEMBL4650767 0.69 RARB (0.55) —
SCHEMBL8678083 0.68 LTB4R2 (0.43) CYP11B2CYP11B1SLC22A12

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
EP-0464648-B1 4-Cyano-3-fluorophenyl esters HOFFMANN LA ROCHE (CH) 1995-12-06 — — EP disclosed
EP-0464648-A1 4-Cyano-3-fluorophenyl esters F. HOFFMANN-LA ROCHE AG (CH) 1992-01-08 — — EP disclosed