SCHEMBL30189438

SCHEMBL30189438

CCC(NC12CC3CC(C)(CC(C)(C3)C1)C2)S(=O)(=O)O

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRIN2D O15399 2/20 0.49
GRIN3B O60391 2/20 0.49
GRIN1 Q05586 2/20 0.49
GRIN2A Q12879 2/20 0.49
GRIN2B Q13224 2/20 0.49
GRIN2C Q14957 2/20 0.49
GRIN3A Q8TCU5 2/20 0.49
EPHX2 P34913 11/20 0.44
HDAC1 Q13547 4/20 0.41
HDAC8 Q9BY41 4/20 0.41
HDAC6 Q9UBN7 4/20 0.41
HDAC3 O15379 3/20 0.41

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
SCHEMBL21518370 0.78 GRIN2D (0.46) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21518418 0.75 EPHX2 (0.47) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30142430 0.74 GRIN1 (0.58) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL660099 0.70 GRIN1 (0.61) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21518422 0.70 GRIN2D (0.56) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL16301135 0.69 EPHX2 (0.55) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL21518431 0.69 GRIN2D (0.50) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL30142406 0.68 KMT2A (0.41) EPHX2
SCHEMBL5504092 0.68 GRIN2D (0.49) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B
SCHEMBL917058 0.68 GRIN1 (0.53) GRIN2DGRIN3BGRIN1GRIN2AGRIN2B

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-20230080775-A1 POLYISOCYANATE PREPARATIONS COVESTRO DEUTSCHLAND AG (DE) 2023-03-16 US disclosed