SCHEMBL16631780

SCHEMBL16631780

CCCCOC[C@H]1O[C@@H](c2cc(C)c(OCCCC)nc2F)C[C@H]1OCCCC

nearest known ligand 0.32

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.32
▸ TDP1 Q9NUW8 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ GJB2 P29033 3/20 0.30
▸ RARA P10276 1/20 0.30
▸ RARB P10826 1/20 0.30
▸ RARG P13631 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
SCHEMBL16631585 0.82 GJB2 (0.30) GJB2
SCHEMBL16631781 0.81 SMN1; SMN2 (0.33) ALDH1A1TDP1SMN1; SMN2GJB2
SCHEMBL18081990 0.81 RARA (0.32) SMN1; SMN2GJB2RARARARBRARG
SCHEMBL16631959 0.76 GJB2 (0.31) SMN1; SMN2GJB2
SCHEMBL16631693 0.76 GJB2 (0.31) SMN1; SMN2GJB2
SCHEMBL16631779 0.74 RARA (0.31) RARARARBRARG
SCHEMBL16631964 0.72 SMN1; SMN2 (0.33) ALDH1A1TDP1SMN1; SMN2GJB2
SCHEMBL18081987 0.69 RARA (0.33) RARARARBRARG
SCHEMBL18081967 0.69 GJB2 (0.33) GJB2
SCHEMBL16631666 0.69 GJB2 (0.33) GJB2

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-2015051173-A2 POLYNUCLEOTIDE MOLECULES AND USES THEREOF MODERNA THERAPEUTICS, INC (US) 2015-04-09 — — WO disclosed
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