SCHEMBL6777669

SCHEMBL6777669

CC(C)CN1CC=CC1=O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 6/20 0.42
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP1 P09874 1/20 0.33
HDAC1 Q13547 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
ALDH1A1 P00352 1/20 0.30
TOP2A P11388 1/20 0.30

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
SCHEMBL16307674 0.80 SMN1; SMN2 (0.40) SMN1; SMN2ALDH1A1
SCHEMBL179104 0.76
SCHEMBL6481556 0.72
SCHEMBL24939869 0.72
SCHEMBL22488338 0.71
SCHEMBL6475113 0.71 CA1 (0.33) CA1CA2
SCHEMBL15606268 0.68
SCHEMBL8536193 0.68
SCHEMBL6779927 0.68 MGLL (0.50) TSHRHSD17B10ALDH1A1
SCHEMBL7906023 0.67

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
US-6727275-B2 ANTIINFLAMMATORY, ANTIALLERGEN, AND ANTIASTHMATIC AGENTS UCB, S.A./N.V. (BE) 2004-04-27 US disclosed