SCHEMBL29282178

SCHEMBL29282178

CC(C(=O)O)c1ccccc1.O=C(O)CCc1cccc(O)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KEAP1 Q14145 1/20 0.49
PTGS2 P35354 6/20 0.47
FFAR1 O14842 3/20 0.47
OPRM1 P35372 2/20 0.46
OPRD1 P41143 2/20 0.46
OPRK1 P41145 2/20 0.46
PTGS1 P23219 6/20 0.46
CXCR1 P25024 4/20 0.46
CXCR2 P25025 4/20 0.46
LMNA P02545 3/20 0.46
MAPT P10636 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PMP22 Q01453 2/20 0.46
SLC22A6 Q4U2R8 2/20 0.46
CXCL8 P10145 2/20 0.46
RECQL P46063 1/20 0.46
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP3A4 P08684 1/20 0.46
HPGD P15428 1/20 0.46

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
SCHEMBL21114393 0.94 AKR1C3 (0.47) KEAP1PTGS2FFAR1OPRM1OPRD1
Phenyl Propionic Acid SCHEMBL23581098 0.87 KEAP1 (0.66) KEAP1PTGS2FFAR1PTGS1CXCR1
Phenyl Propionic Acid SCHEMBL8935146 0.87 KEAP1 (0.66) KEAP1PTGS2FFAR1PTGS1CXCR1
Phenyl Propionic Acid SCHEMBL29282176 0.83 KEAP1 (0.70) KEAP1FFAR1OPRM1OPRD1OPRK1
SCHEMBL31336237 0.83 KEAP1 (0.63) KEAP1FFAR1OPRM1OPRD1OPRK1
SCHEMBL65250 0.83 KEAP1 (0.63) KEAP1FFAR1OPRM1OPRD1OPRK1
SCHEMBL29563859 0.83 KEAP1 (0.63) KEAP1FFAR1OPRM1OPRD1OPRK1
SCHEMBL12002853 0.78 KEAP1 (0.56) KEAP1FFAR1SMN1; SMN2ALDH1A1MAPK1
Phenylbutanoic Acid SCHEMBL31534033 0.78 SMN1; SMN2 (0.68) KEAP1PTGS2FFAR1LMNAMAPT
SCHEMBL1345726 0.78 KEAP1 (0.56) KEAP1FFAR1SMN1; SMN2ALDH1A1MAPK1

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
CN-117987431-A Application of knock-out mhpA gene in improving L-phenylalanine yield 河南省健康元生物医药研究院有限公司 2024-05-07 CN disclosed