SCHEMBL7982155

SCHEMBL7982155

CN([C@@H](Cc1ccc(C#N)cc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
F2 P00734 11/20 0.45
F10 P00742 2/20 0.42
PLG P00747 1/20 0.42
PLAT P00750 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
KDM1A O60341 1/20 0.41
CTSD P07339 1/20 0.41
BACE1 P56817 1/20 0.41
BACE2 Q9Y5Z0 1/20 0.41
MCL1 Q07820 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7984913 0.83 ALDH1A1 (0.47) ALDH1A1F2F10PLGPLAT
SCHEMBL3100023 0.81 BCL2 (0.47) ALDH1A1F2MCL1TSHR
SCHEMBL7017283 0.74 F2 (0.79) F2F10PLGPLATPRSS1
SCHEMBL7017279 0.74 F2 (0.79) F2F10PLGPLATPRSS1
SCHEMBL8488500 0.74 F2 (0.78) F2F10PLGPLATPRSS1
SCHEMBL7015978 0.74 F2 (0.78) F2F10PLGPLATPRSS1
SCHEMBL8652286 0.73 ADAMTS5 (0.65) ALDH1A1F2MCL1
SCHEMBL8652284 0.73 ADAMTS5 (0.65) ALDH1A1F2MCL1
SCHEMBL8489778 0.72 F2 (0.73) F2F10PLGPLATPRSS1
SCHEMBL7023038 0.72 F2 (0.73) F2F10PLGPLATPRSS1

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-6284912-B1 Process for synthesizing para-and/or meta-substituted cyanophenyalanine derivatives LG CHEMICAL, LTD. (KR) 2001-09-04 US disclosed
EP-1043309-A1 Process for synthesizing para-and/or meta-substituted cyanophenylalanine derivatives LG Chemical Ltd. (KR) 2000-10-11 EP disclosed