SCHEMBL6903317

SCHEMBL6903317

CCCC[P+](CCCC)(CCCC)CCCC.O=C(OCCO)c1cccc(S(=O)(=O)[O-])c1C(=O)OCCO

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TSHR P16473 8/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 2/20 0.43
CYP3A4 P08684 3/20 0.42
MAPK1 P28482 3/20 0.42
TP53 P04637 1/20 0.42
ALDH1A1 P00352 8/20 0.41
LMNA P02545 3/20 0.41
CA2 P00918 1/20 0.40
HSD17B10 Q99714 3/20 0.39
KDM4E B2RXH2 4/20 0.38
POLB P06746 1/20 0.38
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
TRPA1 O75762 1/20 0.32
SCN1A P35498 1/20 0.32
SCN2A Q99250 1/20 0.32
SCN3A Q9NY46 1/20 0.32

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
SCHEMBL9440624 0.84 CA9 (0.42) TSHRCYP3A4ALDH1A1LMNACA2
Potassium Ion SCHEMBL11762347 0.82 ALDH1A1 (0.59) TSHRTDP1L3MBTL1CYP3A4MAPK1
Tetraphenylphosphonium SCHEMBL6904889 0.81 ALDH1A1 (0.35) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6904378 0.78 ALDH1A1 (0.44) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL6903429 0.77 CA12 (0.45) TSHRALDH1A1KDM4EPRSS1PRSS2
SCHEMBL3943689 0.76 CA1 (0.43) TDP1L3MBTL1ALDH1A1LMNACA2
Ethylene SCHEMBL3142766 0.76 TSHR (0.41) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL4279100 0.73 TSHR (0.59) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL28753465 0.73 CA12 (0.55) TSHRCYP3A4ALDH1A1CA2KDM4E
SCHEMBL3952584 0.73 ESR1 (0.44) TSHRCYP3A4MAPK1LMNA

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