Sugi Predict

Sugi Predict / Compounds / SCHEMBL7960431

SCHEMBL7960431

SCHEMBL7960431

CCCCCOCCCNC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 3/20 0.50
▸ TSHR P16473 1/20 0.49
▸ RECQL P46063 1/20 0.49
▸ ACHE P22303 7/20 0.48
▸ CES2 O00748 2/20 0.47
▸ EPHX1 P07099 3/20 0.47

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
SCHEMBL28893601 0.92 EPHX2 (0.50) EPHX2TSHRRECQLACHEEPHX1
SCHEMBL27160508 0.90 EPHX2 (0.52) EPHX2ACHECES2EPHX1
SCHEMBL15533132 0.89 MEN1 (0.52) EPHX2ACHECES2EPHX1
SCHEMBL31618226 0.88 TSHR (0.45) EPHX2TSHRRECQLACHE
SCHEMBL8958187 0.87 TSHR (0.41) TSHRRECQLACHE
SCHEMBL9468149 0.86 TSHR (0.46) EPHX2TSHRRECQLACHE
SCHEMBL8958265 0.85 TSHR (0.40) TSHRRECQLACHE
SCHEMBL20556415 0.85 TSHR (0.40) TSHRRECQLACHE
SCHEMBL13794715 0.85 EPHX2 (0.68) EPHX2
SCHEMBL22771106 0.85 PAOX (0.53) EPHX2TSHRRECQLACHE

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
WO-2001036412-A1 PROCESS FOR THE PREPARATION OF ARYLOXY PROPANOLAMINES ELI LILLY AND COMPANY (US) 2001-05-25 — — WO claimed
WO-2001036412-A1 PROCESS FOR THE PREPARATION OF ARYLOXY PROPANOLAMINES ELI LILLY AND COMPANY (US) 2001-05-25 — — WO disclosed