SCHEMBL9401932

SCHEMBL9401932

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.37
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPSR1 Q6W5P4 2/20 0.36
RECQL P46063 2/20 0.36
CTSK P43235 3/20 0.36
CTSS P25774 1/20 0.36
POLB P06746 1/20 0.35
CA12 O43570 1/20 0.35
CA14 Q9ULX7 1/20 0.35
XBP1 P17861 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
CA7 P43166 1/20 0.34

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
SCHEMBL10445510 1.00 MAPT (0.37) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL10445512 1.00 MAPT (0.37) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL9401922 1.00 MAPT (0.37) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL9401725 1.00 MAPT (0.37) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL9401736 1.00 MAPT (0.37) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL7376788 0.84 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL7376786 0.84 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL7377350 0.84 CTSK (0.41) CTSKCTSSCA1CA2CA7
SCHEMBL4960459 0.79 MAPT (0.39) MAPTALDH1A1MEN1KMT2ANPSR1
SCHEMBL23849248 0.75 CA1 (0.52) MAPTKMT2ANPSR1CTSKCTSS

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-5286869-A Vasodilators and anticoagulants FUJIREBIO KABUSHIKI KAISHA (JP) 1994-02-15 US disclosed
EP-0403957-A2 Optical active 1,4-dihydropyridine derivates FUJIREBIO INC. (JP) 1990-12-27 EP disclosed