SCHEMBL6903429

SCHEMBL6903429

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

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.45
CA9 Q16790 3/20 0.45
SLC37A4 O43826 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
RECQL P46063 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MMP1 P03956 3/20 0.37
MMP7 P09237 3/20 0.37
MMP12 P39900 3/20 0.37
MMP13 P45452 3/20 0.37
ACE P12821 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 2/20 0.36
AGTR1 P30556 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
BID P55957 3/20 0.35
MCL1 Q07820 3/20 0.35
BCL2L1 Q07817 2/20 0.35

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
SCHEMBL28753465 0.88 CA12 (0.55) CA12CA9KDM4EMEN1RECQL
Potassium Ion SCHEMBL2829459 0.81 F2 (0.45) CA12CA9ALDH1A1MMP1MMP13
SCHEMBL11121502 0.81 F2 (0.45) CA12CA9ALDH1A1MMP1MMP13
Lithium Ion SCHEMBL11281416 0.81 F2 (0.45) CA12CA9ALDH1A1MMP1MMP13
SCHEMBL9440624 0.81 CA9 (0.42) CA12CA9KDM4EKMT2AALDH1A1
SCHEMBL6903317 0.77 TSHR (0.43) KDM4EALDH1A1TSHRPRSS1PRSS2
SCHEMBL9134622 0.76 CA12 (0.51) CA12CA9KDM4EMEN1RECQL
Tetraphenylphosphonium SCHEMBL6905021 0.76 F2 (0.42) CA12CA9ALDH1A1MMP1MMP13
Phenolsulphonic Acid SCHEMBL9684845 0.75 EPHX2 (0.41) CA12CA9MMP1MMP7MMP12
SCHEMBL1829605 0.74 TSHR (0.49) CA12CA9KDM4EMEN1KMT2A

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