SCHEMBL7632802

SCHEMBL7632802

COC[C](C)OOC(=O)c1ccc(C)cc1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.53
RAB9A P51151 5/20 0.45
ALDH1A1 P00352 4/20 0.45
NPC1 O15118 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 2/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
CYP1A2 P05177 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
F2 P00734 1/20 0.39
TRPV1 Q8NER1 1/20 0.39
GSK3B P49841 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39

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
SCHEMBL7627894 0.85 CA1 (0.55) RAB9ANPC1MAPTLMNACES2
SCHEMBL7634780 0.85 ALDH1A1 (0.47) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL7623961 0.84 LMNA (0.61) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL7625337 0.83 SLC7A5 (0.40) TDP1RAB9ANPC1MAPTCYP1A2
SCHEMBL7628268 0.82 TDP1 (0.52) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL7634515 0.82 MAPT (0.47) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL7628407 0.82 SMN1; SMN2 (0.49) RAB9AALDH1A1NPC1MAPTLMNA
SCHEMBL7636383 0.82 SMN1; SMN2 (0.50) ALDH1A1MAPTLMNASMN1; SMN2F2
SCHEMBL7630704 0.82 CA1 (0.50) TDP1RAB9AALDH1A1NPC1MAPT
SCHEMBL7627042 0.82 RAB9A (0.36) TDP1RAB9AALDH1A1NPC1MAPT

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