SCHEMBL6152656

SCHEMBL6152656

CCCC[P+](CCCC)(CCCC)Cc1ccccc1.COc1c(C(=O)O)cc(C(=O)O)cc1S(=O)(=O)[O-]

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 7/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
CA2 P00918 1/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
TSHR P16473 1/20 0.37
BLM P54132 1/20 0.37
SLC12A2 P55011 1/20 0.37
HIF1A Q16665 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
HSD17B10 Q99714 1/20 0.37
TAS2R14 Q9NYV8 3/20 0.37
PTGES O14684 3/20 0.36
ALOX5 P09917 2/20 0.36
PPARG P37231 2/20 0.36
TAS2R8 Q9NYW2 1/20 0.35
CXCR3 P49682 1/20 0.35
FOLH1 Q04609 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
SCHEMBL6152932 0.90 ALDH1A1 (0.35) ALDH1A1KDM4EUSP2CA2LMNA
SCHEMBL6152497 0.87 ALDH1A1 (0.34) ALDH1A1KDM4EUSP2CA2LMNA
SCHEMBL6154214 0.87 ALDH1A1 (0.39) ALDH1A1KDM4EUSP2CA2LMNA
SCHEMBL3944868 0.80 BDKRB2 (0.45) BDKRB2TSHRHSD17B10TAS2R14PTGES
Tetraphenylphosphonium SCHEMBL6552441 0.78 F2 (0.38) ALDH1A1KDM4ELMNAHPGDNPSR1
SCHEMBL5076557 0.74 L3MBTL1 (0.42) BDKRB2ALDH1A1KDM4ELMNAHPGD
SCHEMBL31425583 0.72 BDKRB2 (0.44) BDKRB2CA2PTGESALOX5PPARG
SCHEMBL28753465 0.72 CA12 (0.55) ALDH1A1KDM4ECA2TSHRMEN1
SCHEMBL30014622 0.70 SMN1; SMN2 (0.39) ALDH1A1CA2LMNAHPGDTSHR
SCHEMBL1725777 0.70 SMN1; SMN2 (0.39) ALDH1A1CA2LMNAHPGDTSHR

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-0989149-B1 POLYALKYLENE NAPHTHALATE, COMPOSITION THEREOF, FILM, AND PROCESSES FOR PRODUCING THESE TEIJIN LTD (JP) 2005-01-26 EP disclosed
US-6228975-B1 MAGNETIC RECORDING MEDIA COMPRISING FILM HAVING GOOD ELECTROSTATIC ADHESION, HIGH-SPEED WINDING PROPERTIES, UNIFORM THICKNESS AND FLATNESS TEIJIN LIMITED (JP) 2001-05-08 US disclosed
EP-0989149-A1 POLYALKYLENE NAPHTHALATE, COMPOSITION THEREOF, FILM, AND PROCESSES FOR PRODUCING THESE TEIJIN LIMITED (JP) 2000-03-29 EP disclosed