SCHEMBL9440690

SCHEMBL9440690

CCCC[P+](CCCC)(CCCC)CCCC.O=C([O-])c1cccc(C(=O)OS(=O)(=O)O)c1

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.37
ALDH1A1 P00352 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
NPC1 O15118 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
HPGD P15428 1/20 0.34
CYP2C19 P33261 1/20 0.34
RAB9A P51151 1/20 0.34
P4HB P07237 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
Isophthalic Acid SCHEMBL2472673 0.85 SMN1; SMN2 (0.47) LTB4RSMN1; SMN2
SCHEMBL1683498 0.82 CA2 (0.39)
SCHEMBL28372302 0.82 CA2 (0.39)
SCHEMBL448024 0.82 CA2 (0.44)
Zinc Ion SCHEMBL28885471 0.82 CA2 (0.39)
Lithium Ion SCHEMBL756014 0.82 CA2 (0.39)
SCHEMBL28593252 0.78 SMN1; SMN2 (0.39) LTB4RSMN1; SMN2ALDH1A1MAPK1NPC1
SCHEMBL31425580 0.78 NR1I2 (0.41) LTB4RSMN1; SMN2TSHRP4HB
SCHEMBL6679381 0.76 POLB (0.43) ALDH1A1TSHRRAB9A
SCHEMBL28343095 0.76 CA2 (0.40) SMN1; SMN2

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-0280026-B1 Copolyester fiber TEIJIN LTD (JP) 1994-03-30 EP disclosed
US-4851504-A Cationically-dyeable, thermally-resistant copolyester fiber comprising quaternary phosphonium organic sulfonate groups TEIJIN LIMITED (JP) 1989-07-25 US disclosed
EP-0280026-A2 Copolyester fiber TEIJIN LIMITED (JP) 1988-08-31 EP disclosed