SCHEMBL9747653

SCHEMBL9747653

CCC(C)(O)OC(=O)c1ccccc1C(=O)OC(C)(O)CC

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.52
ALDH1A1 P00352 6/20 0.48
L3MBTL1 Q9Y468 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
CYP3A4 P08684 4/20 0.44
MAPK1 P28482 2/20 0.44
TP53 P04637 1/20 0.44
LMNA P02545 1/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C19 P33261 1/20 0.41
HSD17B10 Q99714 1/20 0.41
NPC1 O15118 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
CA2 P00918 1/20 0.38
CDC25B P30305 1/20 0.38

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
SCHEMBL27455362 0.83 CYP2D6 (0.59) TSHRALDH1A1L3MBTL1TDP1MAPK1
SCHEMBL203311 0.82 TSHR (0.53) TSHRALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL20578201 0.82 CYP1A2 (0.54) TSHRALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL1665613 0.80 TSHR (0.55) TSHRALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL28767920 0.80 ALDH1A1 (0.55) TSHRALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL28203253 0.80 CLCN2 (0.38) TSHRCYP1A2CYP2D6CYP2C19CA2
SCHEMBL3286890 0.79 TSHR (0.48) TSHRALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL109178 0.77 TSHR (0.50) TSHRALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL30111657 0.77 TSHR (0.50) TSHRALDH1A1L3MBTL1TDP1CYP3A4
SCHEMBL20578202 0.77 CYP2D6 (0.53) TSHRALDH1A1L3MBTL1TDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0497896-A1 NON-PHOTOGRAPHIC METHOD FOR PATTERNING ORGANIC POLYMER FILMS. DU PONT (US) 1992-08-12 EP disclosed
US-5032216-A Non-photographic method for patterning organic polymer films E. I. DU PONT DE NEMOURS AND COMPANY (US) 1991-07-16 US disclosed
WO-1991006118-A1 NON-PHOTOGRAPHIC METHOD FOR PATTERNING ORGANIC POLYMER FILMS E.I. DU PONT DE NEMOURS AND COMPANY (US) 1991-05-02 WO disclosed