SCHEMBL8103610

SCHEMBL8103610

COc1ccc(N2C(=O)C(C)(C)C2c2ccccc2)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 16/20 1.00
KCNH2 Q12809 1/20 0.69
SOAT1 P35610 2/20 0.57
GFER P55789 1/20 0.56
POLB P06746 1/20 0.54

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
SCHEMBL19248171 0.82 HSD11B1 (1.00) HSD11B1KCNH2
SCHEMBL23975119 0.78 POLB (0.70) HSD11B1KCNH2SOAT1GFERPOLB
SCHEMBL19850690 0.76 HSD11B1 (0.60) HSD11B1KCNH2SOAT1GFERPOLB
SCHEMBL10409197 0.74 HSD11B1 (0.59) HSD11B1KCNH2SOAT1GFERPOLB
SCHEMBL11618037 0.74 HSD11B1 (0.63) HSD11B1KCNH2GFERPOLB
SCHEMBL24167463 0.72 HSD11B1 (0.73) HSD11B1KCNH2POLB
SCHEMBL15841547 0.72 GFER (0.60) HSD11B1GFER
SCHEMBL15841548 0.72 GFER (0.60) HSD11B1GFER
SCHEMBL7818005 0.71 HSD11B1 (0.55) HSD11B1KCNH2SOAT1GFERPOLB
SCHEMBL7810596 0.71 HSD11B1 (0.55) HSD11B1KCNH2SOAT1GFERPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0843967-B1 Use of Beta-aminopropionic acid derivatives as fungicides ISAGRO RICERCA SRL (IT) 2000-04-05 EP disclosed
US-5856311-A Derivatives of β-aminopropionic acid with a fungicidal activity ISAGRO RICERCA SRL (IT) 1999-01-05 US disclosed
EP-0843967-A1 Use of Beta-aminopropionic acid derivatives as fungicides ISAGRO RICERCA S.r.l. (IT) 1998-05-27 EP disclosed
EP-0718280-A2 Derivatives of beta-aminopropionic acid with a fungicidal activity ISAGRO RICERCA S.r.l. (IT) 1996-06-26 EP disclosed