SCHEMBL8844557

SCHEMBL8844557

O=S(=O)=C1CC=CC(O)=C1c1ccccc1O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33
BCL2L1 Q07817 1/20 0.33
HSD17B10 Q99714 1/20 0.33
NAMPT P43490 1/20 0.33
G6PD P11413 1/20 0.32
PTPN1 P18031 1/20 0.30
PTGS2 P35354 1/20 0.30

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
SCHEMBL31519854 1.00 ALDH1A1 (0.33) ALDH1A1HPGDBCL2L1HSD17B10NAMPT
SCHEMBL29666445 0.78 ALDH1A1 (0.36) ALDH1A1HPGDBCL2L1HSD17B10NAMPT
SCHEMBL10589644 0.78 NAMPT (0.38) ALDH1A1HPGDBCL2L1HSD17B10NAMPT
SCHEMBL11671092 0.78 ALDH1A1 (0.36) ALDH1A1HPGDBCL2L1HSD17B10NAMPT
SCHEMBL29839939 0.77 ALDH1A1 (0.35) ALDH1A1HPGDBCL2L1HSD17B10NAMPT
SCHEMBL31658228 0.72 ALDH1A1 (0.34) ALDH1A1HPGDBCL2L1HSD17B10NAMPT
SCHEMBL3079530 0.72 ALDH1A1 (0.34) ALDH1A1HPGDBCL2L1HSD17B10NAMPT
SCHEMBL29682099 0.71 ALDH1A1 (0.33) ALDH1A1HPGDBCL2L1HSD17B10NAMPT
SCHEMBL6035256 0.68 ALDH1A1 (0.36) ALDH1A1HPGDHSD17B10PTPN1
Cyanate SCHEMBL27968785 0.66 PGR (0.30)

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5688896-A Non-linear optically active polycarbonate AKZO NOBEL N.V. (NL) 1997-11-18 US claimed
US-5588083-A Non-linear optically active polycarbonate AKZO NOBEL N.V. (NL) 1996-12-24 US claimed
EP-0645413-A1 Non-linear optically active polycarbonate Akzo Nobel N.V. (NL) 1995-03-29 EP claimed
US-5688896-A Non-linear optically active polycarbonate AKZO NOBEL N.V. (NL) 1997-11-18 US disclosed
US-5688896-A Non-linear optically active polycarbonate AKZO NOBEL N.V. (NL) 1997-11-18 US disclosed
US-5588083-A Non-linear optically active polycarbonate AKZO NOBEL N.V. (NL) 1996-12-24 US disclosed
US-5588083-A Non-linear optically active polycarbonate AKZO NOBEL N.V. (NL) 1996-12-24 US disclosed
EP-0645413-A1 Non-linear optically active polycarbonate Akzo Nobel N.V. (NL) 1995-03-29 EP disclosed
EP-0645413-A1 Non-linear optically active polycarbonate Akzo Nobel N.V. (NL) 1995-03-29 EP disclosed