SCHEMBL7377350

SCHEMBL7377350

CC=C(N[C@H](C(=O)OC(C)(C)C)C(C)C)C(=O)O

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CTSK P43235 5/20 0.41
CTSS P25774 2/20 0.41
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA7 P43166 1/20 0.37
KLK5 Q9Y337 1/20 0.35
ABCB1 P08183 1/20 0.34
NPR3 P17342 1/20 0.34
PREP P48147 1/20 0.33
CYP2D6 P10635 1/20 0.33
TRPA1 O75762 1/20 0.33
CTSL P07711 1/20 0.33
CTSB P07858 1/20 0.33

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
SCHEMBL7376786 1.00 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL7376788 1.00 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL9401922 0.84 MAPT (0.37) CTSKCTSSCA1CA2CA7
SCHEMBL9401725 0.84 MAPT (0.37) CTSKCTSSCA1CA2CA7
SCHEMBL10445512 0.84 MAPT (0.37) CTSKCTSSCA1CA2CA7
SCHEMBL9401736 0.84 MAPT (0.37) CTSKCTSSCA1CA2CA7
SCHEMBL9401932 0.84 MAPT (0.37) CTSKCTSSCA1CA2CA7
SCHEMBL10445510 0.84 MAPT (0.37) CTSKCTSSCA1CA2CA7
SCHEMBL23260554 0.78 CTSK (0.57) CTSKCTSSCA1CA2CA7
SCHEMBL11910515 0.78 NPR3 (0.42) CTSKCTSSCA1CA2CA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5644059-A REACTION OF KETONE WITH ACRYLAMIDE AND AMMONIA OR AMMONIUM SALT FUJIREBIO INC. (JP) 1997-07-01 US disclosed
US-5367081-A Vasodilator, antiallergen FUJIREBIO INC. (JP) 1994-11-22 US disclosed
EP-0488345-A1 1,4-Dihydropyridine derivatives and methods of producing the same FUJIREBIO INC. (JP) 1992-06-03 EP disclosed