SCHEMBL28210448

SCHEMBL28210448

CCCCCCC1(CCCCCC)CNCCN1CCO

nearest known ligand 0.34

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GNAI3 P08754 5/20 0.34
GNAO1 P09471 5/20 0.34
GNAI1 P63096 5/20 0.34
GAA P10253 4/20 0.33

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
SCHEMBL10871634 0.91
SCHEMBL9236814 0.87 GNAO1 (0.34) GNAI3GNAO1GNAI1
Bromide SCHEMBL6291814 0.85 GNAO1 (0.33) GNAI3GNAO1GNAI1
Bromide SCHEMBL6291203 0.85 GNAO1 (0.33) GNAI3GNAO1GNAI1
Hydrochloric Acid SCHEMBL6291777 0.85 GNAO1 (0.36) GNAI3GNAO1GNAI1
SCHEMBL4893037 0.82 GNAI3 (0.35) GNAI3GNAO1GNAI1
SCHEMBL28826063 0.80 SOS1 (0.35) GNAI3GNAO1GNAI1
SCHEMBL28210516 0.79 SOS1 (0.39) GNAI3GNAO1GNAI1
SCHEMBL369683 0.77 SOS1 (0.40) GNAI3GNAO1GNAI1
SCHEMBL7376523 0.77 SIGMAR1 (0.37) GNAI3GNAO1GNAI1

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
CN-107935943-A Ester-water amphiphilic hypocrellin derivative and preparation method and application thereof 中国科学院理化技术研究所 2018-04-20 CN disclosed