SCHEMBL7635140

SCHEMBL7635140

CC(C)(C)C1CCCC[C]1OOC(=O)c1ccc(-c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 1/20 0.41
SCN2A Q99250 1/20 0.41
SCN3A Q9NY46 1/20 0.41
PDCD1 Q15116 1/20 0.40
CD274 Q9NZQ7 1/20 0.40
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
SMN1; SMN2 Q16637 4/20 0.38
SLC6A2 P23975 2/20 0.38
SLC6A4 P31645 2/20 0.38
SLC6A3 Q01959 1/20 0.38
FASN P49327 2/20 0.37
MCHR1 Q99705 1/20 0.37
USP30 Q70CQ3 1/20 0.36
MAPT P10636 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36

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
SCHEMBL7635651 0.92 TDP1 (0.45) SCN1ASCN2ASCN3AALDH1A1TSHR
SCHEMBL7630177 0.86 RAB9A (0.40) SCN1ASCN2ASCN3AALDH1A1TDP1
SCHEMBL7636202 0.85 ALDH1A1 (0.44) ALDH1A1TDP1SMN1; SMN2MAPTMEN1
SCHEMBL7630933 0.84 MAPK1 (0.47) ALDH1A1HSD17B10TDP1SMN1; SMN2MAPT
SCHEMBL7628217 0.84 SCN1A (0.44) SCN1ASCN2ASCN3APDCD1CD274
SCHEMBL7631398 0.83 SMN1; SMN2 (0.33) ALDH1A1TSHRHSD17B10TDP1SMN1; SMN2
SCHEMBL7628007 0.83 KMT2A (0.44) ALDH1A1SMN1; SMN2MAPTL3MBTL1MEN1
SCHEMBL7632179 0.82 L3MBTL1 (0.38) ALDH1A1SMN1; SMN2L3MBTL1MEN1KMT2A
SCHEMBL7631638 0.81 SCN1A (0.42) SCN1ASCN2ASCN3APDCD1CD274
SCHEMBL7634804 0.80 THRA (0.42) ALDH1A1HSD17B10SMN1; SMN2NPC1RAB9A

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