Sugi Predict

Sugi Predict / Compounds / SCHEMBL9545112

SCHEMBL9545112

SCHEMBL9545112

CCCCCCCCCCCCCNC(N)=NC1CCCCC1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NAAA Q02083 1/20 0.59
▸ EPHX1 P07099 9/20 0.49
▸ EPHX2 P34913 2/20 0.49
▸ PRCP P42785 2/20 0.47
▸ SIGMAR1 Q99720 1/20 0.46
▸ GNAI3 P08754 1/20 0.44
▸ GNAO1 P09471 1/20 0.44
▸ GNAI1 P63096 1/20 0.44

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
SCHEMBL9518381 0.87 SIGMAR1 (0.49) NAAASIGMAR1
Iodide SCHEMBL9427758 0.85 SIGMAR1 (0.47) NAAASIGMAR1
SCHEMBL27434311 0.83 SIGMAR1 (0.42) NAAAEPHX1EPHX2SIGMAR1
SCHEMBL17187465 0.77 EPHX1 (0.60) NAAAEPHX1EPHX2SIGMAR1
SCHEMBL9543418 0.77 EPHX1 (0.60) NAAAEPHX1EPHX2SIGMAR1
SCHEMBL17187474 0.77 EPHX1 (0.60) NAAAEPHX1EPHX2SIGMAR1
SCHEMBL17187416 0.77 EPHX1 (0.60) NAAAEPHX1EPHX2SIGMAR1
SCHEMBL18428870 0.77 EPHX1 (0.60) NAAAEPHX1EPHX2SIGMAR1
SCHEMBL17187505 0.77 EPHX1 (0.60) NAAAEPHX1EPHX2SIGMAR1
SCHEMBL17187473 0.77 EPHX1 (0.60) NAAAEPHX1EPHX2SIGMAR1

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
WO-1993016173-A1 DECOLORIZATION AND DEODORIZATION OF FERMENTATION BROTH BY TREATMENT WITH STRONGLY BASIC EXTRACTANTS COGNIS, INC. (US) 1993-08-19 — — WO disclosed