SCHEMBL8896501

SCHEMBL8896501

CC(C)Oc1cc(CC(=N)CO)c[n+]([O-])c1

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
CYP1A2 P05177 1/20 0.33
GAA P10253 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C19 P33261 1/20 0.33
POLB P06746 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
SCHEMBL8897962 0.84 GPR84 (0.40) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL8897728 0.81 PRSS1 (0.32)
SCHEMBL8897090 0.79 CA12 (0.32)
SCHEMBL8898772 0.72 HTR3E (0.32)
SCHEMBL8895792 0.72 GPR84 (0.35)
SCHEMBL8898150 0.72
SCHEMBL8896387 0.71 CYP1A2 (0.33) CYP1A2GAACYP2D6CYP2C19POLB
SCHEMBL8896606 0.71 POLB (0.36) CYP1A2GAACYP2D6CYP2C19POLB
SCHEMBL8896368 0.70
SCHEMBL8899717 0.68 POLB (0.31) POLB

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-5627136-A HERBICIDES, ANTIGROWTH REGULATORS AND PLANT GROWTH REGULATORS BASF AKTIENGESELLSCHAFT (DE) 1997-05-06 US disclosed