SCHEMBL7787658

SCHEMBL7787658

O=S(=O)(O)c1cccc2c1CCC(O)C2

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.38
DRD3 P35462 6/20 0.38
CA1 P00915 3/20 0.38
CA2 P00918 3/20 0.38
ACHE P22303 3/20 0.38
HTR6 P50406 3/20 0.36
DRD4 P21917 4/20 0.35
HTR1A P08908 4/20 0.35
HTR7 P34969 4/20 0.35
DRD1 P21728 1/20 0.35
DRD5 P21918 1/20 0.35
ADRB2 P07550 1/20 0.35
TTR P02766 1/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33

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
SCHEMBL7787573 0.87 TRPV1 (0.39)
SCHEMBL7916823 0.85 TRPV1 (0.38) CA1CA2ACHETTR
SCHEMBL7790534 0.80 CYP1A2 (0.38) DRD2DRD3CA1CA2ACHE
SCHEMBL11117006 0.77 TTR (0.41) TTR
SCHEMBL7916810 0.74 BCL2L1 (0.47) TTR
SCHEMBL4961562 0.74 BCL2L1 (0.52) TTR
SCHEMBL1261038 0.74 DRD2 (0.66) DRD2DRD3CA1CA2ACHE
SCHEMBL7918564 0.73 POLL (0.39) TTR
SCHEMBL6949378 0.73 DRD2 (0.64) DRD2DRD3HTR1AHTR7
SCHEMBL6949383 0.73 DRD2 (0.64) DRD2DRD3HTR1AHTR7

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