Sugi Predict

Sugi Predict / Compounds / SCHEMBL6278947

SCHEMBL6278947

SCHEMBL6278947

CCCCCC1COC(C)=N1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ NOS2 P35228 8/20 0.44
▸ NOS1 P29475 7/20 0.44
▸ ALDH1A1 P00352 1/20 0.41
▸ NOS3 P29474 4/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ TAAR1 Q96RJ0 1/20 0.36
▸ SCN2A Q99250 2/20 0.35
▸ EPHX1 P07099 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
SCHEMBL29117666 0.98 ALDH1A1 (0.44) NOS2NOS1ALDH1A1NOS3CYP1A2
SCHEMBL10339612 0.98 ALDH1A1 (0.44) NOS2NOS1ALDH1A1NOS3CYP1A2
SCHEMBL1726234 0.79 TAAR1 (0.57) NOS2NOS1TAAR1
SCHEMBL8710340 0.78 TAAR1 (0.55) NOS2NOS1TAAR1
SCHEMBL7091189 0.78 NOS2 (0.41) NOS2NOS1ALDH1A1NOS3CYP1A2
SCHEMBL7854852 0.77 ALDH1A1 (0.41) NOS2NOS1ALDH1A1NOS3CYP1A2
SCHEMBL7857240 0.77 ALDH1A1 (0.41) NOS2NOS1ALDH1A1NOS3CYP1A2
SCHEMBL7651855 0.77 ALDH1A1 (0.41) NOS2NOS1ALDH1A1NOS3CYP1A2
SCHEMBL7846606 0.77 ALDH1A1 (0.41) NOS2NOS1ALDH1A1NOS3CYP1A2
SCHEMBL7856874 0.77 ALDH1A1 (0.41) NOS2NOS1ALDH1A1NOS3CYP1A2

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-2005017619-A1 IMAGING MATERIAL WITH IMPROVED MECHANICAL PROPERTIES EASTMAN KODAK COMPANY (US) 2005-02-24 — — WO disclosed