SCHEMBL3664136

SCHEMBL3664136

CC(C)([O])C12CC3CC(CC(C3)C1)C2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 4/20 0.36
GRIN3B O60391 4/20 0.36
GRIN1 Q05586 4/20 0.36
GRIN2A Q12879 4/20 0.36
GRIN2B Q13224 4/20 0.36
GRIN2C Q14957 4/20 0.36
GRIN3A Q8TCU5 4/20 0.36
LMNA P02545 3/20 0.35
SLC22A2 O15244 2/20 0.35
SLC47A1 Q96FL8 2/20 0.35
SLC22A1 O15245 1/20 0.35
TSHR P16473 1/20 0.35
NFKB1 P19838 1/20 0.35
STAT6 P42226 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
NPSR1 Q6W5P4 1/20 0.34
GAA P10253 1/20 0.33
POLB P06746 1/20 0.33
THRB P10828 1/20 0.33
BLM P54132 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
SCHEMBL2825436 0.77 GRIN2D (0.45) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL1697212 0.72 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL299469 0.72 GRIN2D (0.41) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL19454869 0.72 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL871816 0.72 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL17348243 0.72 GRIN2D (0.36) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL11634182 0.72 GRIN2D (0.32) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
Acetic Acid SCHEMBL700515 0.70 THRB (0.42) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL4985264 0.70 LMNA (0.37) LMNASIGMAR1GAAEPHX2EPHX1
SCHEMBL4990698 0.70 THRB (0.38) LMNAGAATHRBEPHX2EPHX1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231670-A2 PROCESS FOR THE PREPARATION OF 2-(PRIMARY/SECONDARY AMINO)HYDROCARBYL)- CARBAMOYL-7-OXO-2,6-DIAZA-BICYCLOÝ3.2.0.¨HEPTANE-6-SULFONIC ACID DERIVATIVES Basilea Pharmaceutica AG (CH) 2010-09-29 EP claimed
WO-2009071638-A2 PROCESS FOR THE PREPARATION OF 2-(PRIMARY/SECONDARY AMINO)HYDROCARBYL)- CARBAMOYL-7-OXO-2,6-DIAZA-BICYCLO[3.2.0.]HEPTANE-6-SULFONIC ACID DERIVATIVES BASILEA PHARMACEUTICA AG (CH) 2009-06-11 WO claimed
CN-102317307-A Peptides used in the treatment and/or care of the skin, mucous membranes and/or scalp and their use in cosmetic or pharmaceutical compositions LIPOTEC SA 2012-01-11 CN disclosed