SCHEMBL4076916

SCHEMBL4076916

COC(=O)COc1cccc(OCC(=O)OC)c1

nearest known ligand 0.65

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.62
ALDH1A1 P00352 3/20 0.60
CYP1A2 P05177 1/20 0.60
CYP3A4 P08684 1/20 0.60
CYP2C9 P11712 1/20 0.60
CYP2C19 P33261 1/20 0.60
KMT2A Q03164 3/20 0.58
MEN1 O00255 2/20 0.58
GAA P10253 1/20 0.57
FAAH O00519 1/20 0.53
CYSLTR2 Q9NS75 1/20 0.52
CYSLTR1 Q9Y271 1/20 0.52
KDM4E B2RXH2 1/20 0.50

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
SCHEMBL7293057 0.94 LMNA (0.72) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL31556370 0.94 LMNA (0.72) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL7044556 0.89 CYP3A4 (0.55) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL11351362 0.89 ALDH1A1 (0.55) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9911067 0.89 GAA (0.72) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL23523217 0.88 ALDH1A1 (0.53) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL2909364 0.88 HSD17B10 (0.59) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL9812945 0.88 KMT2A (0.56) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL1432111 0.88 KMT2A (0.58) LMNAALDH1A1CYP1A2CYP3A4CYP2C9
SCHEMBL217079 0.88 CYP3A4 (0.56) LMNAALDH1A1CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009155362-A1 SMALL MOLECULE HEMATOPOIETIC GROWTH FACTOR MIMETIC COMPOUNDS AND THEIR USES LIGAND PHARMACEUTICALS INC. (US) 2009-12-23 WO disclosed
EP-0492999-B1 Copolyester and hollow container and oriented film comprising the copolyester MITSUBISHI CHEM CORP (JP) 2002-05-22 EP disclosed
US-6254950-B1 BLEND WITH POLYETHYLENE TEREPHTHALATE AND NAPHTHALATE, POLYBUTYLENE AND POLYTRIMETHYLENE TEREPHTHALATE, AND/OR POLYBUTYLENE NAPHTHALATE; PACKAGING EASTMAN CHEMICAL COMPANY 2001-07-03 US disclosed
US-5239045-A Containing terephthalic acid, phenylenedioxy/diacetic acid, diol; packaging MITSUBISHI KASEI CORPORATION (JP) 1993-08-24 US disclosed
EP-0492999-A2 Copolyester and hollow container and oriented film comprising the copolyester Mitsubishi Chemical Corporation (JP) 1992-07-01 EP disclosed