SCHEMBL5067966

SCHEMBL5067966

CCC1=NCC(C(=O)OC)N1

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.37
KLK7 P49862 1/20 0.30
CHRNB2 P17787 1/20 0.30
CHRNB4 P30926 1/20 0.30
CHRNA3 P32297 1/20 0.30
CHRNA7 P36544 1/20 0.30
CHRNA4 P43681 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
SCHEMBL3989342 0.85 KMT2A (0.40) KMT2A
SCHEMBL5213808 0.74 TAAR1 (0.43) KMT2A
SCHEMBL12660848 0.72 KMT2A (0.37) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3986486 0.72 ALDH1A1 (0.33) KMT2A
SCHEMBL19454171 0.70 KMT2A (0.36) KMT2A
SCHEMBL17611080 0.67 KMT2A (0.33) KMT2A
SCHEMBL29284737 0.63
SCHEMBL8745451 0.63
SCHEMBL10479733 0.62 KMT2A (0.47) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL7245061 0.61 CHRNB2 (0.46) KMT2ACHRNB2CHRNB4CHRNA3CHRNA7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8172873-B2 Shape memory polymers UNIVERSITY OF ROCHESTER (US) 2012-05-08 US disclosed
US-20110251364-A1 Shape Memory Polymers NATIONAL SCIENCE FOUNDATION 2011-10-13 US disclosed