SCHEMBL7625857

SCHEMBL7625857

CC1CCC(C(C)C)[C](OOC(=O)c2cccc(-c3ccccc3)c2)C1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
NPC1 O15118 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TRPV1 Q8NER1 1/20 0.40
TRPM8 Q7Z2W7 1/20 0.38
HDAC8 Q9BY41 1/20 0.37
KMO O15229 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
USP30 Q70CQ3 1/20 0.36
TP53 P04637 1/20 0.36
UBE2M P61081 1/20 0.35
DCUN1D1 Q96GG9 1/20 0.35

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
SCHEMBL7627270 0.90 PDCD1 (0.45) MAPTNPC1L3MBTL1TRPV1TRPM8
SCHEMBL7629368 0.90 NPC1 (0.47) TDP1NPC1L3MBTL1TRPM8
SCHEMBL7634146 0.86 CHRNA1 (0.41) MAPTNPC1L3MBTL1HDAC8
SCHEMBL7627937 0.84 CHRNA1 (0.45) L3MBTL1TP53
SCHEMBL7630798 0.82 RAB9A (0.43) MAPTTDP1NPC1L3MBTL1TP53
SCHEMBL7631528 0.81 SCN1A (0.46) TDP1NPC1L3MBTL1
SCHEMBL7634307 0.81 ALDH1A1 (0.43) MAPTNPC1L3MBTL1TP53
SCHEMBL7636551 0.79 SCN1A (0.40) MAPTTDP1NPC1L3MBTL1TP53
SCHEMBL7635693 0.79 MEN1 (0.41) NPC1L3MBTL1
SCHEMBL7630090 0.79 CYP2D6 (0.46) MAPT

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