SCHEMBL27304207

SCHEMBL27304207

O=C(CCc1ccccc1)OCC1OCCC(OCc2ccccc2)[C@H]1OCc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 5/20 0.47
▸ TDP1 Q9NUW8 1/20 0.45
▸ ALDH1A1 P00352 1/20 0.41
▸ CASP1 P29466 1/20 0.38

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
SCHEMBL27303269 1.00 MGLL (0.47) MGLLTDP1ALDH1A1CASP1
SCHEMBL27303249 0.90 MGLL (0.38) MGLLTDP1ALDH1A1
SCHEMBL27304127 0.85 TDP1 (0.46) MGLLTDP1
SCHEMBL27301322 0.85 ALDH1A1 (0.46) ALDH1A1
SCHEMBL27304125 0.85 ALDH1A1 (0.46) ALDH1A1
SCHEMBL27303620 0.85 ALDH1A1 (0.46) ALDH1A1
SCHEMBL27303616 0.85 ALDH1A1 (0.46) ALDH1A1
SCHEMBL28335226 0.80 MGLL (0.54) MGLLTDP1ALDH1A1
SCHEMBL24256501 0.80 BCHE (0.52) —
SCHEMBL22640958 0.80 BCHE (0.52) —

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-2024050020-A1 INVARIANT NATURAL KILLER T-CELL ACTIVATORS DECIDUOUS THERAPEUTICS, INC. (US) 2024-03-07 — — WO disclosed
Send feedback