SCHEMBL7984913

SCHEMBL7984913

CN([C@@H](Cc1ccc(OS(=O)(=O)C(F)(F)F)cc1)C(=O)NC1CCCC1)S(=O)(=O)c1ccc2ccccc2c1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.47
F2 P00734 6/20 0.43
CTSD P07339 1/20 0.41
F10 P00742 1/20 0.41
PLG P00747 1/20 0.41
PLAT P00750 1/20 0.41
PRSS1 P07477 1/20 0.41
PRSS2 P07478 1/20 0.41
PRSS3 P35030 1/20 0.41
MCL1 Q07820 1/20 0.39
GAA P10253 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
HTT P42858 1/20 0.39
P2RX7 Q99572 1/20 0.39
LMNA P02545 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
FAAH O00519 1/20 0.39
EPHX1 P07099 1/20 0.39
CCR4 P51679 1/20 0.39

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
SCHEMBL7982155 0.83 ALDH1A1 (0.47) ALDH1A1F2CTSDF10PLG
SCHEMBL7981046 0.77 MMP13 (0.42) ALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL7984917 0.76 F2 (0.75) F2F10PLGPLATPRSS1
SCHEMBL7983863 0.75 ALDH1A1 (0.43) ALDH1A1MCL1GAALMNA
SCHEMBL8652284 0.73 ADAMTS5 (0.65) ALDH1A1F2MCL1
SCHEMBL8652286 0.73 ADAMTS5 (0.65) ALDH1A1F2MCL1
SCHEMBL7987575 0.70 SCN9A (0.51)
SCHEMBL7983820 0.70 F2 (0.53) F2
SCHEMBL252270 0.69 CXCR2 (0.64) ALDH1A1NPSR1LMNASMN1; SMN2
SCHEMBL252030 0.69 CXCR2 (0.64) ALDH1A1NPSR1LMNASMN1; SMN2

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 1 patent. 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 claimed