SCHEMBL9440141

SCHEMBL9440141

CC(C)(C)C1(C(N)=O)CC=Cc2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
SCN4A P35499 1/20 0.34
SCN5A Q14524 1/20 0.34
SCN9A Q15858 1/20 0.34
KMT2A Q03164 2/20 0.33
MAPT P10636 1/20 0.33
KIF11 P52732 1/20 0.32
OPRL1 P41146 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
SCHEMBL5857537 0.79 LMNA (0.33) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL8611475 0.74 KIF11 (0.33) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL7031865 0.73 KMT2A (0.35) LMNATSHRMAPK1SCN4ASCN5A
SCHEMBL10586576 0.72 KDM4E (0.34) KIF11
SCHEMBL29701281 0.72 KDM4E (0.34) KIF11
SCHEMBL21461362 0.71
SCHEMBL461337 0.70 THRB (0.40) KIF11
SCHEMBL8491987 0.69 TDP1 (0.35) MAPK1KMT2AMAPTKIF11
SCHEMBL9899733 0.69 THRB (0.35) MAPK1KMT2AMAPTKIF11
SCHEMBL9848988 0.69 CES2 (0.33) LMNATSHRMAPK1KMT2AMAPT

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-5294375-A Thermochromic materials POLAROID CORPORATION (US) 1994-03-15 US disclosed