Sugi Predict

Sugi Predict / Compounds / SCHEMBL7056302

SCHEMBL7056302

SCHEMBL7056302

COCCCCCCOC(=O)OC

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.52
▸ TSHR P16473 4/20 0.42
▸ EPHX1 P07099 1/20 0.42
▸ ACHE P22303 7/20 0.41
▸ NAAA Q02083 1/20 0.40
▸ CYP3A4 P08684 1/20 0.38
▸ FAAH O00519 1/20 0.37
▸ RECQL P46063 1/20 0.37

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
SCHEMBL7051341 1.00 ALDH1A1 (0.52) ALDH1A1TSHREPHX1ACHENAAA
SCHEMBL1128341 0.98 ALDH1A1 (0.48) ALDH1A1TSHREPHX1ACHENAAA
SCHEMBL1468764 0.93 TSHR (0.43) ALDH1A1TSHREPHX1RECQL
SCHEMBL29315079 0.93 EPHX1 (0.46) ALDH1A1TSHREPHX1ACHENAAA
SCHEMBL25906823 0.93 EPHX1 (0.46) ALDH1A1TSHREPHX1ACHENAAA
SCHEMBL3454834 0.93 EPHX1 (0.46) ALDH1A1TSHREPHX1ACHENAAA
SCHEMBL3454627 0.93 EPHX1 (0.46) ALDH1A1TSHREPHX1ACHENAAA
SCHEMBL19418922 0.90 ALDH1A1 (0.56) ALDH1A1TSHREPHX1ACHENAAA
SCHEMBL15430605 0.90 ALDH1A1 (0.56) ALDH1A1TSHREPHX1ACHENAAA
SCHEMBL18287422 0.90 ALDH1A1 (0.56) ALDH1A1TSHREPHX1ACHENAAA

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-1304325-A1 5-(M-CYANOBENZYLAMINO)PYRAZOLE DERIVATIVES Sankyo Company, Limited (JP) 2003-04-23 — — EP disclosed