SCHEMBL901326

SCHEMBL901326

C[C@@H]1CCC[C@@]2(C)CC[C@H]3[C@H](C)CC[C@@H](C[C@H]12)C3(C)C.C[C@@H]1CCC[C@@]2(C)CC[C@H]3[C@H](C)CC[C@@H](C[C@H]12)C3(C)C

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CDK5 Q00535 1/20 0.40
CDK5R1 Q15078 1/20 0.40
NR1I3 Q14994 1/20 0.40
GRIN1 Q05586 3/20 0.35
GRIN2B Q13224 3/20 0.35
MBOAT4 Q96T53 2/20 0.33
RET P07949 1/20 0.31
MAPK14 Q16539 1/20 0.31
CAMK1D Q8IU85 1/20 0.31

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
SCHEMBL332530 1.00 CDK5 (0.40) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL3825 1.00 CDK5 (0.40) CDK5CDK5R1NR1I3GRIN1GRIN2B
Water SCHEMBL1070875 0.98 CDK5 (0.39) CDK5CDK5R1NR1I3GRIN1GRIN2B
Ammonia Solution, Strong SCHEMBL2074263 0.98 CDK5 (0.39) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL27882040 0.98 CDK5 (0.39) CDK5CDK5R1NR1I3GRIN1GRIN2B
Water SCHEMBL1888091 0.98 CDK5 (0.39) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL789094 0.98 CDK5 (0.39) CDK5CDK5R1NR1I3GRIN1GRIN2B
Water SCHEMBL3935755 0.98 CDK5 (0.39) CDK5CDK5R1NR1I3GRIN1GRIN2B
Cyanide SCHEMBL28515924 0.95 CDK5 (0.38) CDK5CDK5R1NR1I3GRIN1GRIN2B
SCHEMBL17856475 0.94 NR1I3 (0.40) CDK5CDK5R1NR1I3GRIN1GRIN2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240082463-A1 COATED MEDICAL PRODUCT HEMOTEQ AG (DE) 2024-03-14 US disclosed
WO-2012044832-A1 METHODS OF TREATING A SUBJECT AND RELATED PARTICLES, POLYMERS AND COMPOSITIONS FETZER OLIVER S (US) 2012-04-05 WO disclosed