SCHEMBL7628217

SCHEMBL7628217

CC1CCCC[C]1OOC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.44
SCN2A Q99250 1/20 0.44
SCN3A Q9NY46 1/20 0.44
PDCD1 Q15116 1/20 0.42
CD274 Q9NZQ7 1/20 0.42
SMN1; SMN2 Q16637 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
SLC6A3 Q01959 2/20 0.40
MCHR1 Q99705 1/20 0.39
FASN P49327 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
MAPT P10636 1/20 0.38
ALDH1A1 P00352 1/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 1/20 0.38
LMNA P02545 1/20 0.38

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
SCHEMBL7634497 0.92 LMNA (0.46) SCN1ASCN2ASCN3AMEN1KMT2A
SCHEMBL7633038 0.85 TDP1 (0.41) SCN1ASCN2ASCN3ASMN1; SMN2MEN1
SCHEMBL7631638 0.85 SCN1A (0.42) SCN1ASCN2ASCN3APDCD1CD274
SCHEMBL7630809 0.84 MEN1 (0.47) SMN1; SMN2MEN1KMT2ANPC1RAB9A
SCHEMBL7635140 0.84 SCN1A (0.41) SCN1ASCN2ASCN3APDCD1CD274
SCHEMBL7628940 0.83 SCN1A (0.43) SCN1ASCN2ASCN3APDCD1CD274
SCHEMBL7634784 0.83 SCN1A (0.43) SCN1ASCN2ASCN3APDCD1CD274
SCHEMBL7633441 0.83 MAPK1 (0.50) SMN1; SMN2KMT2ANPC1RAB9AMAPT
SCHEMBL7630096 0.82 SCN1A (0.47) SCN1ASCN2ASCN3APDCD1CD274
SCHEMBL7626481 0.82 ALDH1A1 (0.42) SMN1; SMN2SLC6A2MEN1KMT2ARAB9A

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
EP-1233014-A1 ASYMMETRIC ORGANIC PEROXIDE, CROSSLINKING AGENT COMPRISING THE SAME, AND METHOD OF CROSSLINKING WITH THE SAME NOF CORPORATION (JP) 2002-08-21 EP disclosed