SCHEMBL13646649

SCHEMBL13646649

Cc1ccc(O)c2c1C(O)CCC2

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
UGT2B17 O75795 2/20 0.43
MAP3K14 Q99558 1/20 0.39
ADRB2 P07550 1/20 0.36
BRD3 Q15059 1/20 0.36

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
SCHEMBL10340205 0.86 UGT2B17 (0.47) UGT2B17MAP3K14BRD3
SCHEMBL7096349 0.76 MAP3K14 (0.47) UGT2B17MAP3K14ADRB2
SCHEMBL30109346 0.76 MAP3K14 (0.47) UGT2B17MAP3K14ADRB2
SCHEMBL28206095 0.74 ADRA2A (0.36) ADRB2
SCHEMBL14283978 0.73 BCL2L1 (0.35)
SCHEMBL21091917 0.73 ADRB2 (0.49) UGT2B17ADRB2
SCHEMBL21091959 0.73 ADRB2 (0.49) UGT2B17ADRB2
SCHEMBL12507109 0.70 MAP3K14 (0.50) UGT2B17MAP3K14
SCHEMBL12507000 0.70 MAP3K14 (0.50) UGT2B17MAP3K14
SCHEMBL12506888 0.70 UGT2B17 (0.40) UGT2B17MAP3K14BRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009124872-A2 ANIONIC DYES AND HAIR DYE COMPOSITIONS CONTAINING THEM DYSTAR TEXTILFARBEN GMBH & CO. DEUTSCHLAND KG (DE) 2009-10-15 WO disclosed
EP-2108406-A1 Anionic dyes and hair dye compositions containing them DyStar Textilfarben GmbH & Co. Deutschland KG (DE) 2009-10-14 EP disclosed