SCHEMBL7940281

SCHEMBL7940281

CC(C)CNNC(=O)[C@@](CC(C)C)([C@H](CSc1ccccc1)C(=O)NOC1CCCCO1)S(C)(=O)=O

nearest known ligand 0.31

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNA2 P20248 1/20 0.31
CDK2 P24941 1/20 0.31
CCNA1 P78396 1/20 0.31
CDK5 Q00535 1/20 0.31
CDK5R1 Q15078 1/20 0.31
MTNR1A P48039 3/20 0.31
MTNR1B P49286 3/20 0.31
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
P2RX3 P56373 1/20 0.31
GSTP1 P09211 1/20 0.30
GSTM2 P28161 1/20 0.30
HPGD P15428 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL6941960 0.78 ADAM17 (0.33) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL7937958 0.77 P2RX3 (0.31) P2RX3
SCHEMBL7940268 0.77 P2RX3 (0.30) P2RX3
SCHEMBL7928806 0.76 P2RX3 (0.34) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL8107435 0.75 KMT2A (0.31)
SCHEMBL7940275 0.75 CCNA2 (0.31) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL7937824 0.74 SMN1; SMN2 (0.33) HPGD
SCHEMBL8111767 0.73 GAA (0.33)
SCHEMBL7940265 0.72 GAA (0.33) CCNA2CDK2CCNA1CDK5CDK5R1
SCHEMBL6944688 0.72 P2RX3 (0.31) CCNA2CDK2CCNA1CDK5CDK5R1

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