SCHEMBL6902443

SCHEMBL6902443

O=S(=O)(O)CCNCCCCCC1CCSS1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 1/20 0.50
CA9 Q16790 1/20 0.50
ACHE P22303 7/20 0.49
HSD17B10 Q99714 2/20 0.49
KMT2A Q03164 2/20 0.49
TARDBP Q13148 2/20 0.49
CYP2C9 P11712 1/20 0.49
MEN1 O00255 1/20 0.49
NR1I2 O75469 1/20 0.49
ALDH1A1 P00352 1/20 0.49
LMNA P02545 1/20 0.49
POLB P06746 1/20 0.49
THRB P10828 1/20 0.49
TSHR P16473 1/20 0.49
APEX1 P27695 1/20 0.49
RECQL P46063 1/20 0.49
BLM P54132 1/20 0.49
PMP22 Q01453 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
SAE1 Q9UBE0 1/20 0.49

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
SCHEMBL8628897 0.86 ACHE (0.53) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL31633460 0.85 CA12 (0.43) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL30388595 0.81 ACHE (0.50) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL6902445 0.81 CA12 (0.72) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL8522023 0.81 CA12 (0.72) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL14062143 0.79 ACHE (0.74) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL14062144 0.79 ACHE (0.74) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL7841105 0.79 ACHE (0.69) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL20773628 0.76 ACHE (0.47) CA12CA9ACHEHSD17B10KMT2A
SCHEMBL7832026 0.76 ACHE (0.52) CA12CA9ACHEHSD17B10KMT2A

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-20040018996-A1 Unit dosage forms for the treatment of herpes simplex CHRONORX, LLC (US) 2004-01-29 US claimed
US-6524619-B2 Interdependent biofactors and biomolecules, such as minerals, vitamins and antioxidants and their clinically useful formulations for support of endothelial physiology of the inner ear CHRONORX, INC. 2003-02-25 US claimed
US-20020197313-A1 Unit dosage forms for the treatment of herpes simplex CHRONORX, LLC (US) 2002-12-26 US claimed
US-20010031737-A1 Unit dosage forms for the treatment of herpes simplex RICHARDSON KENNETH T (US) 2001-10-18 US claimed
US-6231889-B1 THIOL GLUTATHIONE WITH METALS CHRONORX, LLC 2001-05-15 US claimed
US-6207190-B1 SYNERGISTIC MIXTURE TO REDUCE OCULAR PRESSURE AND IMPROVE VASCULAR HEALTH COMPRISING FOLIC ACID, A MAGNESIUM SALT, ALPHA-TOCOPHEROL, ASCORBATE AND ALPHA-LIPOIC ACID CHRONORX, LLC 2001-03-27 US claimed
US-6524619-B2 Interdependent biofactors and biomolecules, such as minerals, vitamins and antioxidants and their clinically useful formulations for support of endothelial physiology of the inner ear CHRONORX, INC. 2003-02-25 US disclosed
US-20020061870-A1 Dosage forms useful for modifying conditions and functions associated with hearing loss and/or tinnitus CHRONORX, LLC 2002-05-23 US disclosed
US-6207190-B1 SYNERGISTIC MIXTURE TO REDUCE OCULAR PRESSURE AND IMPROVE VASCULAR HEALTH COMPRISING FOLIC ACID, A MAGNESIUM SALT, ALPHA-TOCOPHEROL, ASCORBATE AND ALPHA-LIPOIC ACID CHRONORX, LLC 2001-03-27 US disclosed