SCHEMBL9799625

SCHEMBL9799625

CCCCCC[C@H](C)OS(=O)(=O)c1ccccc1C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.43
NPSR1 Q6W5P4 4/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 2/20 0.37
LMNA P02545 1/20 0.37
MCOLN3 Q8TDD5 1/20 0.37
RECQL P46063 1/20 0.37
MEN1 O00255 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2C9 P11712 1/20 0.36
CYP2C19 P33261 1/20 0.36
HTT P42858 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ESR1 P03372 1/20 0.35
GAA P10253 1/20 0.35
ESR2 Q92731 1/20 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
SCHEMBL10796867 1.00 ALDH1A1 (0.43) ALDH1A1NPSR1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10751931 0.83 ALDH1A1 (0.37) ALDH1A1NPSR1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL8932145 0.82 ALDH1A1 (0.35) ALDH1A1NPSR1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10950989 0.82 ALDH1A1 (0.49) ALDH1A1NPSR1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL14778762 0.81 ALDH1A1 (0.49) ALDH1A1NPSR1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL8169996 0.81 ALDH1A1 (0.49) ALDH1A1NPSR1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL10904252 0.81 ALDH1A1 (0.49) ALDH1A1NPSR1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL9151537 0.81 ALDH1A1 (0.49) ALDH1A1NPSR1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL27631435 0.81 ALDH1A1 (0.49) ALDH1A1NPSR1KMT2AL3MBTL1SMN1; SMN2
SCHEMBL16167085 0.81 ALDH1A1 (0.49) ALDH1A1NPSR1KMT2AL3MBTL1SMN1; 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5061399-A FERROELECTRICITY THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN IRELAND (GB) 1991-10-29 US disclosed
EP-0302875-B1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNIC MAJESTY'S GOVERNMENT OF THE UNITED KINGDOM OF GREAT BRITAIN AND NORTHERN (GB) 1991-02-27 EP disclosed
EP-0302875-A1 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM. SECR DEFENCE BRIT (GB) 1989-02-15 EP disclosed
WO-1987006577-A2 OPTICALLY ACTIVE NAPHTHALENE COMPOUNDS AND LIQUID CRYSTAL COMPOSITIONS CONTAINING THEM THE SECRETARY OF STATE FOR DEFENCE IN HER BRITANNI (GB) 1987-11-05 WO disclosed