SCHEMBL9750314

SCHEMBL9750314

CCCCCCCCCCCCC(Cc1ccccc1)(c1ccccc1)S(=O)(=O)O

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.45
MMP9 P14780 1/20 0.45
MMP13 P45452 1/20 0.45
SCN5A Q14524 3/20 0.39
SCN9A Q15858 3/20 0.39
CETP P11597 4/20 0.38
EPHX2 P34913 2/20 0.38
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
PKM P14618 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
HPGD P15428 1/20 0.38

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
SCHEMBL11795464 0.90 SCN5A (0.43) SCN5ASCN9A
SCHEMBL7786015 0.90 SCN5A (0.43) SCN5ASCN9A
SCHEMBL7783835 0.90 SCN5A (0.43) SCN5ASCN9A
SCHEMBL7784178 0.90 SCN5A (0.43) SCN5ASCN9A
SCHEMBL3109755 0.88 SCN5A (0.42) SCN5ASCN9A
SCHEMBL7787235 0.88 SCN5A (0.42) SCN5ASCN9A
SCHEMBL7783811 0.88 SCN5A (0.42) SCN5ASCN9A
SCHEMBL28132484 0.88 ESR2 (0.42) SCN5ASCN9ASIGMAR1
SCHEMBL7787177 0.87 SCN5A (0.41) SCN5ASCN9A
SCHEMBL27970557 0.87 SCN5A (0.41) SCN5ASCN9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5125976-A Wetting agent CESKOSLOVENSKA AKADEMIE VED (CS) 1992-06-30 US disclosed