SCHEMBL4448059

SCHEMBL4448059

CC(=O)CC(C)(C)P(=O)(O)O

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.39
FDPS P14324 3/20 0.38
ALDH1A1 P00352 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GRM4 Q14833 1/20 0.31
HMGCR P04035 1/20 0.31
CHRM1 P11229 1/20 0.31
TBXA2R P21731 1/20 0.31
ADRA1A P35348 1/20 0.31
PGK1 P00558 1/20 0.31
PGK2 P07205 1/20 0.31
TRPA1 O75762 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
SCHEMBL10903812 0.79 HMGCR (0.48) LMNAFDPSALDH1A1TDP1HMGCR
SCHEMBL27486220 0.74 LMNA (0.39) LMNAFDPSALDH1A1TDP1HMGCR
SCHEMBL8350480 0.73 PPARD (0.41) LMNAALDH1A1TDP1
SCHEMBL2466614 0.73 ALDH1A1 (0.39) LMNAFDPSALDH1A1CHRM1TBXA2R
SCHEMBL31603924 0.73 LMNA (0.35) LMNAFDPSHMGCRCHRM1TBXA2R
SCHEMBL2238467 0.73 TSHR (0.40) LMNAFDPS
SCHEMBL8350477 0.73 MGAM (0.32) ALDH1A1
SCHEMBL5463500 0.71 LMNA (0.47) LMNAFDPSGRM4PGK1PGK2
SCHEMBL7193996 0.70 LMNA (0.32) LMNAFDPS
SCHEMBL10968757 0.70 PPARD (0.38) LMNAALDH1A1TDP1HMGCR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2044944-A1 NOOTROPIC MEDICINAL AGENT Rasnetsov, Lev Davidovich (RU) 2009-04-08 EP disclosed
US-5861107-A ESTER INTERCHANGE OF 1,3-PROPANEDIOL COMPOUNDS WITH CARBONIC ACID ESTERS; DISTILLATIVE DEPOLYMERIZATION; CATALYSIS WITH TITANIUM OR ZIRCONIUM COMPOUND; PHOSPHORUS OR SULFUR COMPOUND STABILIZER BAYER AKTIENGESELLSCHAFT (DE) 1999-01-19 US disclosed
EP-0816354-A1 Process for preparing and stabilisation of aliphatic six-membered cyclic carbonates BAYER AG (DE) 1998-01-07 EP disclosed
WO-1985002770-A1 ANTIACIDOTIC MEDICINAL AGENT INSTITUT ORGANICHESKOI I FIZICHESKOI KHIMII IMENI (SU) 1985-07-04 WO disclosed