SCHEMBL7981747

SCHEMBL7981747

C[C@@](Cc1ccc(C#N)cc1)(NS(=O)(=O)c1ccccc1)C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPT P10636 1/20 0.48
LSS P48449 1/20 0.46
CYP19A1 P11511 2/20 0.45
EEF2K O00418 2/20 0.44
KAT6A Q92794 2/20 0.43
AR P10275 1/20 0.41
TAS2R14 Q9NYV8 1/20 0.41
MMP13 P45452 3/20 0.40
MMP1 P03956 2/20 0.40
MMP2 P08253 2/20 0.40
MMP3 P08254 2/20 0.40
MMP7 P09237 2/20 0.40
MMP9 P14780 2/20 0.40
OPRK1 P41145 1/20 0.40
ADAMTS4 O75173 1/20 0.40
GHSR Q92847 1/20 0.40
KDM1A O60341 1/20 0.40
USP30 Q70CQ3 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
SCHEMBL7981743 1.00 MAPT (0.48) MAPTLSSCYP19A1EEF2KKAT6A
SCHEMBL7984352 0.90 BCHE (0.47) LSSCYP19A1EEF2KTAS2R14MMP13
SCHEMBL7983907 0.88 KAT6A (0.49) LSSKAT6A
SCHEMBL7983911 0.88 KAT6A (0.49) LSSKAT6A
SCHEMBL7984128 0.84 BLM (0.48) MAPTGHSR
SCHEMBL7984126 0.84 BLM (0.48) MAPTGHSR
SCHEMBL7982468 0.78 EGFR (0.43) MAPTMMP13MMP1MMP9GHSR
SCHEMBL7502463 0.78 ATIC (0.44) EEF2KKAT6AMMP13MMP1MMP2
SCHEMBL6255018 0.74 GHSR (0.46) MAPTMMP13MMP1MMP2MMP9
SCHEMBL6255022 0.74 GHSR (0.46) MAPTMMP13MMP1MMP2MMP9

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