SCHEMBL26216283

SCHEMBL26216283

CCCCCCOCCOCC1O[C@@H](C)C(O)C(OCCOCCCCCC)C1OC

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 5/20 0.44
▸ TNF P01375 1/20 0.42
▸ GJB2 P29033 4/20 0.41
▸ SSTR1 P30872 1/20 0.37
▸ SSTR2 P30874 1/20 0.37
▸ SSTR4 P31391 1/20 0.37
▸ SSTR3 P32745 1/20 0.37
▸ SSTR5 P35346 1/20 0.37
▸ SPHK2 Q9NRA0 2/20 0.37
▸ SPHK1 Q9NYA1 1/20 0.37
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ SELP P16109 1/20 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
SCHEMBL17278248 0.83 GJB2 (0.45) GBA1TNFGJB2SSTR1SSTR2
SCHEMBL17278246 0.83 GJB2 (0.45) GBA1TNFGJB2SSTR1SSTR2
SCHEMBL15581551 0.83 GJB2 (0.45) GBA1TNFGJB2SSTR1SSTR2
SCHEMBL14012378 0.81 GJB2 (0.48) GBA1TNFGJB2SPHK2SPHK1
SCHEMBL26216225 0.79 SSTR1 (0.32) SSTR1SSTR2SSTR4SSTR3SSTR5
SCHEMBL6380820 0.76 TNF (0.56) GBA1TNFGJB2SSTR1SSTR2
SCHEMBL12000748 0.76 SMN1; SMN2 (0.39) GBA1TNFGJB2SSTR1SSTR2
SCHEMBL6380615 0.74 TNF (0.60) GBA1TNFGJB2SSTR1SSTR2
SCHEMBL280396 0.74 GJB2 (0.42) GBA1TNFGJB2SSTR1SSTR2
SCHEMBL8523179 0.74 ALDH1A1 (0.55) GBA1SPHK2SPHK1MEN1THRB

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
US-11753609-B1 Eco-friendly laundry sheet comprising a poly(2-ethyl-2-oxazoline) binder VENUS LABORATORIES, INC. (US) 2023-09-12 — — US disclosed
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