SCHEMBL7942709

SCHEMBL7942709

C=COC(=O)CC(O)C=C

nearest known ligand 0.30

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
BLM P54132 1/20 0.30
SLC6A3 Q01959 1/20 0.30
MEN1 O00255 1/20 0.30
CYP2D6 P10635 1/20 0.30
TSHR P16473 1/20 0.30
NFKB1 P19838 1/20 0.30
CYP2C19 P33261 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL6154882 0.81 SLC22A6 (0.38)
SCHEMBL19506901 0.78
SCHEMBL10587489 0.77
SCHEMBL4987205 0.77
SCHEMBL16447084 0.77
SCHEMBL11417305 0.76
SCHEMBL1032061 0.76 TDP1 (0.30)
SCHEMBL4196802 0.76 LMNA (0.33) MEN1KMT2A
SCHEMBL15241 0.75 TSHR (0.38) TSHR
SCHEMBL5425444 0.74

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-6287585-B1 MICROBIOCIDES NOVOZYMES A/S (DK) 2001-09-11 US claimed