SCHEMBL14280273

SCHEMBL14280273

CC(=O)n1c(C)c(O)c2c(C)c(C)c(C)cc21

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
KCNJ1 P48048 1/20 0.32
LDHA P00338 1/20 0.32
LDHB P07195 1/20 0.32
POLB P06746 1/20 0.32
CYP3A4 P08684 1/20 0.31

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
SCHEMBL6740064 0.71 CASP1 (0.32) POLB
SCHEMBL6423679 0.65 NOTUM (0.36) POLB
SCHEMBL3556800 0.63 AKR1C3 (0.42) POLB
SCHEMBL3556523 0.63 GAA (0.44) POLB
SCHEMBL3555128 0.63 BAZ2B (0.49) POLB
SCHEMBL6420808 0.61 NPC1 (0.35) POLB
SCHEMBL27789723 0.58 ADORA3 (0.37) POLB
SCHEMBL13858295 0.57 ADORA3 (0.33) POLB
SCHEMBL2046049 0.57 CYP3A4 (0.52) LDHALDHBPOLBCYP3A4
SCHEMBL28779999 0.56 KDM4E (0.40) LDHALDHB

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-7323488-B2 Chromogenic enzyme substrates BURTON MICHAEL 2008-01-29 US disclosed