SCHEMBL24677909

SCHEMBL24677909

CC(CC(C)OC(C)CC1CO1)OCC1CO1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
MAPK1 P28482 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.30

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
SCHEMBL6303425 0.87 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL9918912 0.85 ALDH1A1 (0.41) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL7070990 0.82 MAPK1 (0.38) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL8435928 0.81 ALDH1A1 (0.39) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL12722456 0.79 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL18095076 0.79 ALDH1A1 (0.40) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL29193225 0.75 ALDH1A1 (0.34) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL6310703 0.74 ALDH1A1 (0.43) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL16923029 0.74 ALDH1A1 (0.38) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1
SCHEMBL3458576 0.74 ALDH1A1 (0.46) ALDH1A1TSHRMAPK1SMN1; SMN2TDP1

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-4047030-A1 PHOTOCHROMIC HYDROXYURETHANE COMPOUND Tokuyama Corporation (JP) 2022-08-24 EP disclosed