Sugi Predict

Sugi Predict / Compounds / SCHEMBL21141379

SCHEMBL21141379

SCHEMBL21141379

CCCCCCCCC(CCCCCCCCC(=O)OCCOc1ccccc1)C(CCCCCCCC)CCCCCCCCC(=O)C(C)(C)NC

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ HDAC1 Q13547 2/20 0.44
▸ HDAC2 Q92769 2/20 0.44
▸ PPARG P37231 3/20 0.43
▸ PPARA Q07869 2/20 0.43
▸ DGKA P23743 1/20 0.43
▸ LTA4H P09960 2/20 0.41
▸ FAAH O00519 6/20 0.41
▸ TDP1 Q9NUW8 1/20 0.40
▸ ALOX5 P09917 1/20 0.40
▸ CNR2 P34972 1/20 0.40

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
SCHEMBL15478179 0.82 HPGD (0.50) HDAC1HDAC2PPARGPPARADGKA
SCHEMBL19617998 0.82 HPGD (0.56) HDAC1HDAC2CNR2
SCHEMBL10030729 0.82 HPGD (0.56) HDAC1HDAC2CNR2
SCHEMBL3230032 0.81 DGKA (0.66) HDAC1HDAC2DGKALTA4HFAAH
SCHEMBL5350282 0.81 DGKA (0.66) HDAC1HDAC2DGKALTA4HFAAH
SCHEMBL5352197 0.81 DGKA (0.66) HDAC1HDAC2DGKALTA4HFAAH
SCHEMBL5351714 0.81 DGKA (0.66) HDAC1HDAC2DGKALTA4HFAAH
SCHEMBL5354673 0.81 DGKA (0.66) HDAC1HDAC2DGKALTA4HFAAH
SCHEMBL11713345 0.81 DGKA (0.66) HDAC1HDAC2DGKALTA4HFAAH
SCHEMBL5355662 0.81 DGKA (0.66) HDAC1HDAC2DGKALTA4HFAAH

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-3498786-A1 CURABLE GELLANT INK Xerox Corporation (US) 2019-06-19 — — EP disclosed