SCHEMBL6522524

SCHEMBL6522524

O=S(=O)(O)c1ccc2oc3ccc(S(=O)(=O)O)cc3c2c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.56
SMN1; SMN2 Q16637 3/20 0.50
ALDH1A1 P00352 7/20 0.47
HSD17B10 Q99714 4/20 0.47
CYP2C19 P33261 2/20 0.47
CYP2C9 P11712 1/20 0.47
CASP6 P55212 1/20 0.47
LMNA P02545 1/20 0.43
MMP12 P39900 2/20 0.42
MMP13 P45452 2/20 0.42
TDP1 Q9NUW8 2/20 0.42
HPGD P15428 2/20 0.42
AKR1B1 P15121 1/20 0.42
TSHR P16473 4/20 0.41
NT5E P21589 1/20 0.41
KEAP1 Q14145 1/20 0.41
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL2818655 0.91 SMN1; SMN2 (0.63) L3MBTL1SMN1; SMN2ALDH1A1CYP2C19CYP2C9
SCHEMBL12313445 0.89 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2ALDH1A1MMP12MMP13
SCHEMBL29886938 0.89 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2ALDH1A1HSD17B10CYP2C19
SCHEMBL6519323 0.89 L3MBTL1 (0.47) L3MBTL1SMN1; SMN2ALDH1A1HSD17B10CYP2C19
Water SCHEMBL18832247 0.89 SMN1; SMN2 (0.61) L3MBTL1SMN1; SMN2ALDH1A1CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL9145969 0.89 SMN1; SMN2 (0.61) L3MBTL1SMN1; SMN2ALDH1A1CYP2C19CYP2C9
Hydrochloric Acid SCHEMBL9870305 0.88 AKR1B1 (0.51) L3MBTL1SMN1; SMN2ALDH1A1HSD17B10CYP2C19
SCHEMBL23693626 0.85 PARP1 (0.47) L3MBTL1SMN1; SMN2ALDH1A1HSD17B10CYP2C19
SCHEMBL23693571 0.85 AHR (0.53) L3MBTL1SMN1; SMN2ALDH1A1KDM4EMEN1
SCHEMBL6526017 0.85 MEN1 (0.50) L3MBTL1ALDH1A1CYP2C19TDP1HPGD

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-1051655-B1 METHODS AND APPARATUS FOR ACCELERATED ORTHOKERATOLOGY ISTA PHARMACEUTICALS INC (US) 2005-09-28 EP disclosed
US-20010016731-A1 Methods and apparatus for accelerated orthokeratology DEVORE DALE (US) 2001-08-23 US disclosed
US-6161544-A Methods for accelerated orthokeratology KERATOFORM, INC. (US) 2000-12-19 US disclosed