SCHEMBL7625546

SCHEMBL7625546

CC1CC[C](OOC(=O)c2ccc(-c3ccccc3)cc2)CC1C

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
MCHR1 Q99705 1/20 0.41
SMN1; SMN2 Q16637 5/20 0.40
MEN1 O00255 2/20 0.38
NPC1 O15118 2/20 0.38
RAB9A P51151 2/20 0.38
KMT2A Q03164 2/20 0.38
USP30 Q70CQ3 1/20 0.38
MAPT P10636 4/20 0.38
ALDH1A1 P00352 2/20 0.38
TSHR P16473 1/20 0.38
HSD17B10 Q99714 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
LMNA P02545 2/20 0.38
KDM4E B2RXH2 1/20 0.38
F2 P00734 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
SCHEMBL7625026 0.92 LMNA (0.46) MEN1KMT2AMAPTALDH1A1TSHR
SCHEMBL7630604 0.85 TDP1 (0.41) SCN1ASCN2ASCN3ASMN1; SMN2MEN1
SCHEMBL7627352 0.85 SCN1A (0.47) SCN1ASCN2ASCN3APDCD1CD274
SCHEMBL7625661 0.83 SCN1A (0.43) SCN1ASCN2ASCN3APDCD1CD274
SCHEMBL7627675 0.83 CA1 (0.45) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL7630153 0.83 MEN1 (0.40) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL7635368 0.82
SCHEMBL7625445 0.82 POLB (0.42) SMN1; SMN2MEN1NPC1RAB9AKMT2A
SCHEMBL7629605 0.82 MAPT (0.40) SMN1; SMN2MEN1RAB9AKMT2AMAPT
SCHEMBL7632994 0.80 PLK1 (0.38) SMN1; SMN2NPC1RAB9AKMT2AMAPT

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