SCHEMBL19040832

SCHEMBL19040832

CCCCOCCCCCCCCC1C(CCCCCCCCOCCCC)C1C(=O)OCC

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CES2 O00748 2/20 0.40
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ THRB P10828 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KMT2A Q03164 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ PPM1B O75688 1/20 0.37
▸ PTPN1 P18031 1/20 0.37
▸ PPP1CC P36873 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ NAAA Q02083 1/20 0.37
▸ DGKA P23743 1/20 0.37
▸ PPARG P37231 3/20 0.37
▸ CYP4F2 P78329 1/20 0.36
▸ CYP4A11 Q02928 1/20 0.36
▸ SPHK2 Q9NRA0 1/20 0.35
▸ SPHK1 Q9NYA1 1/20 0.35

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
SCHEMBL23533397 0.88 ALDH1A1 (0.46) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL19032664 0.80 CYP4F2 (0.43) ALDH1A1POLBL3MBTL1MEN1KMT2A
SCHEMBL19032782 0.78 L3MBTL1 (0.43) ALDH1A1L3MBTL1TSHRNAAAPPARG
SCHEMBL19040906 0.76 ALDH1A1 (0.51) ALDH1A1THRBMAPTTSHRPPARG
SCHEMBL19032508 0.75 MAPT (0.44) ALDH1A1POLBL3MBTL1KMT2AMAPT
SCHEMBL1195986 0.73 ALDH1A1 (0.52) ALDH1A1POLBL3MBTL1HTTPPM1B
SCHEMBL1245690 0.73 ALDH1A1 (0.52) ALDH1A1POLBL3MBTL1HTTPPM1B
SCHEMBL15478676 0.72 DGKA (0.59) ALDH1A1MAPTTSHRNAAADGKA
SCHEMBL23533328 0.71 FAAH (0.42) CES2ALDH1A1POLBL3MBTL1MEN1
SCHEMBL1196123 0.71 ALDH1A1 (0.50) ALDH1A1POLBL3MBTL1HTTPPM1B

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-2017112865-A1 COMPOUNDS AND COMPOSITIONS FOR INTRACELLULAR DELIVERY OF AGENTS MODERNATX, INC. (US) 2017-06-29 — — WO disclosed
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