SCHEMBL6549684

SCHEMBL6549684

OC[C@@H](O)[C@@H](O)[C@H](O)[C@H](COCc1ccccc1)OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
KMT2A Q03164 1/20 0.43
TSHR P16473 2/20 0.41
MAPK1 P28482 1/20 0.40
TACR1 P25103 3/20 0.40
HTT P42858 1/20 0.39
SLC1A1 P43005 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
SCHEMBL4888616 1.00 CA1 (0.47) CA1CA2CA7CA9KMT2A
SCHEMBL7511915 0.91 CA1 (0.50) CA1CA2CA7CA9KMT2A
SCHEMBL5742123 0.91 CA1 (0.56) CA1CA2CA7CA9KMT2A
SCHEMBL13841805 0.89 CA1 (0.51) CA1CA2CA7CA9KMT2A
SCHEMBL28304109 0.88 CA1 (0.42) CA1CA2CA7CA9KMT2A
SCHEMBL28088941 0.87 SLC1A3 (0.39) CA1CA2CA7CA9KMT2A
SCHEMBL7988903 0.86 CA1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL7986919 0.86 CA1 (0.49) CA1CA2CA7CA9KMT2A
SCHEMBL7450610 0.85 CA1 (0.54) CA1CA2CA7CA9KMT2A
SCHEMBL27391960 0.85 CA1 (0.54) CA1CA2CA7CA9KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0625905-B1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE COLGATE PALMOLIVE CO (US) 2004-12-01 EP disclosed
US-5626852-A HYDROLYSIS OF ACETAL AND/OR KETAL THE MENNEN COMPANY (US) 1997-05-06 US disclosed
EP-0625905-A4 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE. MENNEN CO (US) 1997-02-26 EP disclosed
US-5378468-A Orthoester which produces a fragrant material by hydrolysis at the ph of the skin when applied; deodorant sticks THE MENNEN COMPANY (US) 1995-01-03 US disclosed
EP-0625905-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-11-30 EP disclosed
WO-1994006441-A1 COMPOSITION CONTAINING BODY ACTIVATED FRAGRANCE FOR CONTACTING THE SKIN AND METHOD OF USE THE MENNEN COMPANY (US) 1994-03-31 WO disclosed