SCHEMBL5810196

SCHEMBL5810196

C[C@H](N)CCNCCCCN

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 3/20 0.56
CA2 P00918 3/20 0.56
CA4 P22748 3/20 0.56
CA6 P23280 3/20 0.56
CA5A P35218 3/20 0.56
CA7 P43166 3/20 0.56
CA9 Q16790 3/20 0.56
CA14 Q9ULX7 3/20 0.56
CA5B Q9Y2D0 3/20 0.56
F13A1 P00488 2/20 0.56
CYP1A2 P05177 2/20 0.56
ALOX15 P16050 2/20 0.56
THPO P40225 2/20 0.56
CA3 P07451 2/20 0.56
CA1 P00915 1/20 0.56
CYP2C9 P11712 1/20 0.56
PKM P14618 1/20 0.56
TSHR P16473 1/20 0.56
MTOR P42345 1/20 0.56
LMNA P02545 1/20 0.54

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
SCHEMBL14519033 1.00 CA12 (0.56) CA12CA2CA4CA6CA5A
SCHEMBL344818 1.00 CA12 (0.56) CA12CA2CA4CA6CA5A
SCHEMBL14163247 0.98 CA12 (0.54) CA12CA2CA4CA6CA5A
SCHEMBL12227390 0.98 CA12 (0.54) CA12CA2CA4CA6CA5A
SCHEMBL14360554 0.95 CA12 (0.59) CA12CA2CA4CA6CA5A
SCHEMBL343049 0.95 CA12 (0.59) CA12CA2CA4CA6CA5A
SCHEMBL5565820 0.93 CA12 (0.56) CA12CA2CA4CA6CA5A
SCHEMBL6030226 0.93 CA12 (0.56) CA12CA2CA4CA6CA5A
SCHEMBL6030318 0.93 CA12 (0.56) CA12CA2CA4CA6CA5A
SCHEMBL5196477 0.93 CA12 (0.55) CA12CA2CA4CA6CA5A

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-7202280-B2 Methods for the treatment and prevention of pancreatitis and for induction of liver regeneration RAESAENEN TIINA-LIISA 2007-04-10 US disclosed
WO-2006134224-A1 CONTROLLING THE REGIO- AND STEREOSPECIFICITY OF ENZYME CATALYSIS WITH GUIDE MOLECULES KEINAENEN TUOMO (FI) 2006-12-21 WO disclosed