SCHEMBL6904378

SCHEMBL6904378

CCCC[P+](CCCC)(CCCC)CCCC.O=C(OCCO)c1ccc(S(=O)(=O)[O-])cc1C(=O)OCCO

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 9/20 0.44
TSHR P16473 7/20 0.44
MAPK1 P28482 4/20 0.44
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 3/20 0.42
TP53 P04637 1/20 0.42
LMNA P02545 2/20 0.41
CA2 P00918 2/20 0.40
GAA P10253 1/20 0.39
NR1I2 O75469 1/20 0.37
S1PR3 Q99500 1/20 0.36
HSD17B10 Q99714 2/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
KDM4E B2RXH2 3/20 0.36
POLB P06746 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
SCHEMBL3943689 0.84 CA1 (0.43) ALDH1A1TDP1L3MBTL1LMNACA2
SCHEMBL4605029 0.83 TSHR (0.58) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL4603546 0.83 TSHR (0.58) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL4604586 0.83 TSHR (0.58) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL3952584 0.83 ESR1 (0.44) TSHRMAPK1CYP3A4LMNA
SCHEMBL4605747 0.82 TSHR (0.59) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL4606124 0.82 TSHR (0.59) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL4604221 0.82 TSHR (0.59) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL28103147 0.81 TSHR (0.60) ALDH1A1TSHRMAPK1TDP1L3MBTL1
SCHEMBL4605459 0.81 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1TDP1L3MBTL1

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-0874015-B1 Process for producing aromatic polyester TEIJIN LTD (JP) 2004-02-25 EP disclosed
US-6042773-A ESTERIFICATION IN PRESENCE OF QUATERNARY PHOSPHONIUM SULFONATE HAVING ESTER-FORMING FUNCTIONAL GROUPS TEIJIN LIMITED (JP) 2000-03-28 US disclosed
EP-0874015-A1 Process for producing aromatic polyester TEIJIN LIMITED (JP) 1998-10-28 EP disclosed