SCHEMBL3272072

SCHEMBL3272072

C=COC(=O)C=C.C=COC(=O)CCCCC(=O)OC=C

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 10/20 0.40
ALDH1A1 P00352 5/20 0.40
CYP3A4 P08684 2/20 0.40
LMNA P02545 1/20 0.38
HPGD P15428 1/20 0.36
TP53 P04637 3/20 0.35
HIF1A Q16665 3/20 0.35
HSD17B10 Q99714 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.32
MAPK1 P28482 1/20 0.32
ABCC4 O15439 1/20 0.30
MAPT P10636 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
SCHEMBL15336 0.89 TSHR (0.47) TSHRALDH1A1CYP3A4LMNASMN1; SMN2
SCHEMBL29912563 0.86 TSHR (0.50) TSHRALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL20564136 0.86 TSHR (0.50) TSHRALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL491383 0.86 TSHR (0.50) TSHRALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL491650 0.86 TSHR (0.50) TSHRALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL15566 0.86 TSHR (0.50) TSHRALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL8752652 0.86 TSHR (0.50) TSHRALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL8752681 0.86 TSHR (0.50) TSHRALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL15380707 0.86 TSHR (0.50) TSHRALDH1A1CYP3A4LMNAHSD17B10
SCHEMBL328704 0.86 TSHR (0.50) TSHRALDH1A1CYP3A4LMNAHSD17B10

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
EP-1685295-B1 METHOD OF COATING PAPER USING A BLEND OF A VINYL AROMATIC-ACRYLIC POLYMER DISPERSION WITH A VINYL AROMATIC-DIENE POLYMER DISPERSION BASF SE (DE) 2010-06-30 EP disclosed
EP-1685295-A1 METHOD OF COATING PAPER USING A BLEND OF A VINYL AROMATIC-ACRYLIC POLYMER DISPERSION WITH A VINYL AROMATIC-DIENE POLYMER DISPERSION BASF AKTIENGESELLSCHAFT (DE) 2006-08-02 EP disclosed
WO-2005049920-A1 METHOD OF COATING PAPER USING A BLEND OF A VINYL AROMATIC-ACRYLIC POLYMER DISPERSION WITH A VINYL AROMATIC-DIENE POLYMER DISPERSION BASF AKTIENGESELLSCHAFT (DE) 2005-06-02 WO disclosed
US-20050089643-A1 METHOD OF MAKING A PAPER COATING USING A BLEND OF A VINYL AROMATIC-ACRYLIC POLYMER DISPERSION WITH A VINYL AROMATIC-DIENE POLYMER DISPERSION BASF AG (DE) 2005-04-28 US disclosed
US-6884468-B1 Method of making a paper coating using a blend of a vinyl aromatic-acrylic polymer dispersion with a vinyl aromatic-diene polymer dispersion BASF AG (DE) 2005-04-26 US disclosed