SCHEMBL7790489

SCHEMBL7790489

NC1CCCc2c1cccc2S(=O)(=O)O

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ACHE P22303 3/20 0.38
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
TTR P02766 1/20 0.37
OAT P04181 1/20 0.33
LMNA P02545 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
ADRA2A P08913 1/20 0.31

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
SCHEMBL7918564 0.76 POLL (0.39) TTRCYP11B1CYP11B2
SCHEMBL7782794 0.75 ACHE (0.38) ACHETTRLMNA
SCHEMBL4743515 0.75 ADRA2A (0.50) ADRA2A
SCHEMBL12674518 0.75 ADRA2A (0.50) ADRA2A
Bromide SCHEMBL10357248 0.73 ADRA2A (0.49) ADRA2A
Hydrochloric Acid SCHEMBL13269175 0.73 ADRA2A (0.49) ACHEADRA2A
SCHEMBL7327615 0.73 ADRA2A (0.51) ACHECA1CA2LMNACYP11B1
SCHEMBL1150666 0.73 ADRA2A (0.43) ACHECA1CA2CYP11B1CYP11B2
SCHEMBL3585626 0.73 ADRA2A (0.43) ACHECA1CA2CYP11B1CYP11B2
SCHEMBL1151017 0.71 HTR2C (0.42) ACHECYP11B1CYP11B2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672405-B1 Hair treatment composition KAO CORP (JP) 2001-11-14 EP disclosed
US-6217855-B1 ELASTICITY KAO CORPORATION (JP) 2001-04-17 US disclosed
EP-0529437-B1 Hair treatment composition KAO CORP (JP) 1996-07-17 EP disclosed
EP-0672405-A1 Hair treatment composition KAO CORPORATION (JP) 1995-09-20 EP disclosed
EP-0529437-A1 Hair treatment composition Kao Corporation (JP) 1993-03-03 EP disclosed