SCHEMBL13118166

SCHEMBL13118166

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

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
AKR1B1 P15121 1/20 0.32
CTSK P43235 3/20 0.32
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 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
SCHEMBL12337411 1.00 TSHR (0.33) TSHRMMP1MMP2MMP3AKR1B1
SCHEMBL10050788 0.83 TSHR (0.38) TSHRAKR1B1CTSK
SCHEMBL17305061 0.83 TSHR (0.38) TSHRAKR1B1CTSK
SCHEMBL14307340 0.80 CTSK (0.44) TSHRCTSK
SCHEMBL26239862 0.79
SCHEMBL22487887 0.79
SCHEMBL17305100 0.76
Formic Acid SCHEMBL3414328 0.74 MMP1 (0.38) TSHRMMP1MMP2MMP3CA12
SCHEMBL13467372 0.71 CTSK (0.33) AKR1B1CTSK
SCHEMBL13801400 0.71 CTSK (0.33) AKR1B1CTSK

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-7807963-B1 Method and apparatus for an improved mass spectrometer CARNEGIE MELLON UNIVERSITY (US) 2010-10-05 US disclosed
US-7383521-B2 Characterization and reduction of variation for integrated circuits CADENCE DESIGN SYSTEMS, INC. (US) 2008-06-03 US disclosed
US-7259082-B2 Method of manufacturing semiconductor device SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2007-08-21 US disclosed