SCHEMBL21996040

SCHEMBL21996040

O=C(C=Cc1ccc(O)cc1)N[C@@H](Cc1ccccc1)C(=O)O

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NOS2 P35228 6/20 0.75
PPARG P37231 1/20 0.67
NOS3 P29474 3/20 0.61
NOS1 P29475 3/20 0.61
MMP1 P03956 3/20 0.60
MMP2 P08253 3/20 0.60
MMP9 P14780 3/20 0.60
GRIA1 P42261 1/20 0.56
CAPN1 P07384 1/20 0.56
MME P08473 1/20 0.54
PTPN2 P17706 2/20 0.53
PTPN1 P18031 2/20 0.53
CDC25B P30305 2/20 0.53
PTPN6 P29350 1/20 0.53
BACE1 P56817 2/20 0.52
MAPT P10636 1/20 0.52

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
SCHEMBL21996042 1.00 NOS2 (0.75) NOS2PPARGNOS3NOS1MMP1
SCHEMBL21996039 1.00 NOS2 (0.75) NOS2PPARGNOS3NOS1MMP1
SCHEMBL1558519 0.95 NOS2 (0.75) NOS2PPARGNOS3NOS1MMP1
SCHEMBL1558517 0.95 NOS2 (0.75) NOS2PPARGNOS3NOS1MMP1
SCHEMBL1558521 0.95 NOS2 (0.75) NOS2PPARGNOS3NOS1MMP1
SCHEMBL3168224 0.94 NOS2 (0.67) NOS2PPARGNOS3NOS1MMP1
SCHEMBL28965832 0.94 NOS2 (0.67) NOS2PPARGNOS3NOS1MMP1
SCHEMBL1711585 0.94 NOS2 (0.67) NOS2PPARGNOS3NOS1MMP1
SCHEMBL28965792 0.94 NOS2 (0.67) NOS2PPARGNOS3NOS1MMP1
SCHEMBL10652157 0.92 NOS2 (0.78) NOS2PPARGNOS3NOS1MMP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108484431-A A kind of cinnamoyl amino acids and application thereof 中国药科大学 2018-09-04 CN claimed
EP-4263826-A2 MEANS AND METHODS FOR DETOXIFYING OCHRATOXIN A DSM Austria GmbH (AT) 2023-10-25 EP disclosed
WO-2022129517-A2 MEANS AND METHODS FOR DETOXIFYING OCHRATOXIN A ERBER AKTIENGESELLSCHAFT (AT) 2022-06-23 WO disclosed
CN-114645037-A Means and methods for detoxification of ochratoxin A 艾尔柏股份公司 2022-06-21 CN disclosed
EP-3887401-A2 METHODS FOR TREATING DYSREGULATED LIPID METABOLISM Denali Therapeutics Inc. (US) 2021-10-06 EP disclosed
WO-2020112889-A9 METHODS FOR TREATING DYSREGULATED LIPID METABOLISM DENALI THERAPEUTICS INC. (US) 2021-06-10 WO disclosed
WO-2020112889-A2 METHODS FOR TREATING DYSREGULATED LIPID METABOLISM DENALI THERAPEUTICS INC. (US) 2020-06-04 WO disclosed
CN-108484431-A A kind of cinnamoyl amino acids and application thereof 中国药科大学 2018-09-04 CN disclosed