SCHEMBL8740791

SCHEMBL8740791

O=C(C=Cc1ccccc1)NC(CO)C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 3/20 0.58
PPARG P37231 1/20 0.57
TDP1 Q9NUW8 2/20 0.56
HDAC2 Q92769 2/20 0.56
HDAC3 O15379 1/20 0.56
HDAC4 P56524 1/20 0.56
HDAC1 Q13547 1/20 0.56
HDAC8 Q9BY41 1/20 0.56
HDAC6 Q9UBN7 1/20 0.56
ALDH1A1 P00352 1/20 0.54
CYP1A2 P05177 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2C9 P11712 1/20 0.54
MAPK1 P28482 1/20 0.54
CYP2C19 P33261 1/20 0.54
KMT2A Q03164 1/20 0.53
MMP1 P03956 3/20 0.51
MMP2 P08253 3/20 0.51
MMP9 P14780 3/20 0.51
EGFR P00533 2/20 0.51

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
SCHEMBL1557405 1.00 NOS2 (0.58) NOS2PPARGTDP1HDAC2HDAC3
SCHEMBL1557402 1.00 NOS2 (0.58) NOS2PPARGTDP1HDAC2HDAC3
SCHEMBL29269198 0.88 NOS2 (0.55) NOS2PPARGTDP1HDAC2HDAC3
SCHEMBL29269199 0.88 NOS2 (0.55) NOS2PPARGTDP1HDAC2HDAC3
SCHEMBL4924078 0.88 HDAC2 (0.57) NOS2PPARGTDP1HDAC2HDAC3
SCHEMBL30448356 0.88 AKR1B10 (0.53) NOS2PPARGHDAC2HDAC3HDAC4
SCHEMBL4924084 0.88 HDAC2 (0.57) NOS2PPARGTDP1HDAC2HDAC3
SCHEMBL1558240 0.88 AKR1B10 (0.53) NOS2PPARGHDAC2HDAC3HDAC4
SCHEMBL22994397 0.86 NOS2 (0.56) NOS2PPARGTDP1HDAC2HDAC3
SCHEMBL6689458 0.86 NOS2 (0.56) NOS2PPARGTDP1HDAC2HDAC3

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1098278-C Cinnamic acid derivative SEIKAGAKU KOGYO CO LTD (JP) 2003-01-08 CN disclosed
CN-1090637-C Crosslinked cinnamic acid hyaluronic acid derivatives and process for producing the same SEIKAGAKU KOGYO CO LTD (JP) 2002-09-11 CN disclosed
CN-1245812-A Cinnamic acid derivative SEIKAGAKU KOGYO CO LTD (JP) 2000-03-01 CN disclosed
EP-0785768-A4 1997-07-30 EP disclosed
EP-0785768-A1 O-ACYL SERINES AS DEODORANTS THE GILLETTE COMPANY (US) 1997-07-30 EP disclosed
CN-1133834-A cinnamic acid derivatives SEIKAGAKU KOGYO CO LTD (JP) 1996-10-23 CN disclosed
WO-1995007069-A1 O-ACYL SERINES AS DEODORANTS THE GILLETTE COMPANY (US) 1995-03-16 WO disclosed