SCHEMBL7995024

SCHEMBL7995024

C=CCOCCOC(=O)CCC

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.51
DGKA P23743 1/20 0.46
ALDH1A1 P00352 4/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
KMT2A Q03164 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
TP53 P04637 2/20 0.39
HIF1A Q16665 2/20 0.39
HSD17B10 Q99714 1/20 0.39
THRB P10828 2/20 0.38
HPGD P15428 1/20 0.36
ADRA2A P08913 1/20 0.35
ADRA1A P35348 1/20 0.35
EPHX2 P34913 1/20 0.35
DNM1 Q05193 1/20 0.35
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34
HTR2C P28335 1/20 0.34
MGLL Q99685 1/20 0.34

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
SCHEMBL4277447 0.88 ALDH1A1 (0.45) TSHRDGKAALDH1A1MEN1POLB
SCHEMBL6408642 0.86 TSHR (0.73) TSHRDGKAALDH1A1MEN1KMT2A
SCHEMBL3224284 0.85 TSHR (0.55) TSHRDGKAALDH1A1MEN1POLB
SCHEMBL1903682 0.85 NAAA (0.44) TSHRDGKAALDH1A1MEN1POLB
SCHEMBL7771219 0.82 TSHR (0.57) TSHRDGKAALDH1A1MEN1POLB
Allyl Butanoate SCHEMBL263508 0.82
Allyl Butanoate SCHEMBL16372404 0.82 TSHR (0.71) TSHRDGKAALDH1A1TDP1HSD17B10
Triethylene Glycol Dibutanoate SCHEMBL4305344 0.82 DGKA (0.58) TSHRDGKAALDH1A1TDP1TP53
SCHEMBL13465983 0.82 DGKA (0.58) TSHRDGKAALDH1A1TDP1TP53
SCHEMBL29601907 0.82 DGKA (0.58) TSHRDGKAALDH1A1TDP1TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6277799-B1 AQUEOUS MIXTURE OF SALT OF HYDROXYCARBOXYLIC ACID AND SURFACTANTS INTERNATIONAL BUSINESS MACHINES CORPORATION 2001-08-21 US disclosed
US-5858160-A Decorative surface coverings containing embossed-in-register inlaids CONGOLEUM CORPORATION (US) 1999-01-12 US disclosed
EP-0708801-A4 COATING AND WEARLAYER COMPOSITIONS FOR SURFACE COVERINGS CONGOLEUM CORP (US) 1997-07-02 EP disclosed
US-5627231-A PLASTICIZER, POLYMETHACRYLATE ESTER CONGOLEUM CORPORATION (US) 1997-05-06 US disclosed
EP-0625170-A4 DECORATIVE FLOOR COVERINGS HAVING THE APPEARANCE OF CERAMIC TILE AND COMPOSITIONS AND METHODS FOR MAKING SAME. CONGOLEUM CORP (US) 1996-06-05 EP disclosed
EP-0708801-A1 COATING AND WEARLAYER COMPOSITIONS FOR SURFACE COVERINGS CONGOLEUM CORPORATION (US) 1996-05-01 EP disclosed
WO-1994028067-A1 COATING AND WEARLAYER COMPOSITIONS FOR SURFACE COVERINGS CONGOLEUM CORPORATION (US) 1994-12-08 WO disclosed
EP-0625170-A1 DECORATIVE FLOOR COVERINGS HAVING THE APPEARANCE OF CERAMIC TILE AND COMPOSITIONS AND METHODS FOR MAKING SAME CONGOLEUM CORPORATION (US) 1994-11-23 EP disclosed
WO-1993015135-A2 DECORATIVE FLOOR COVERINGS HAVING THE APPEARANCE OF CERAMIC TILE AND COMPOSITIONS AND METHODS FOR MAKING SAME CONGOLEUM CORPORATION (US) 1993-08-05 WO disclosed