SCHEMBL7940265

SCHEMBL7940265

CC(C)C[C@](C(=O)NNc1ccccc1)([C@@H](CC=Cc1nccs1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CCNA2 P20248 1/20 0.32
CDK2 P24941 1/20 0.32
CCNA1 P78396 1/20 0.32
CDK5 Q00535 1/20 0.32
CDK5R1 Q15078 1/20 0.32

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
SCHEMBL8111767 0.86 GAA (0.33) GAASMN1; SMN2
SCHEMBL6941960 0.82 ADAM17 (0.33) GAACCNA2CDK2CCNA1CDK5
SCHEMBL7928806 0.81 P2RX3 (0.34) GAACCNA2CDK2CCNA1CDK5
SCHEMBL7937958 0.78 P2RX3 (0.31)
SCHEMBL7940268 0.77 P2RX3 (0.30)
SCHEMBL8107435 0.76 KMT2A (0.31)
SCHEMBL7937824 0.74 SMN1; SMN2 (0.33) SMN1; SMN2
SCHEMBL6946852 0.74 ADAM17 (0.40) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL7940281 0.72 CCNA2 (0.31) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL6946415 0.71 GAA (0.35) GAASMN1; SMN2

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-6235787-B1 ANTIINFLAMMATORY AGENTS; RHEUMATIC DISEASES; BONE DISORDERS; SKIN DISORDERS; MULTIPLE SCLEROSIS HOFFMANN-LA ROCHE INC. 2001-05-22 US disclosed