SCHEMBL28965736

SCHEMBL28965736

Cc1ccc(OCC(=O)N[C@@H](Cc2ccccc2)C(=O)O)cc1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GPR34 Q9UPC5 9/20 0.69
P2RY14 Q15391 1/20 0.65
ALDH1A1 P00352 2/20 0.64
MEN1 O00255 2/20 0.62
KMT2A Q03164 2/20 0.62
LMNA P02545 1/20 0.62
GAA P10253 1/20 0.59
PKM P14618 1/20 0.59
ITGB3 P05106 1/20 0.56
ITGA2B P08514 1/20 0.56
PSMB5 P28074 1/20 0.55
CYP2C19 P33261 1/20 0.55
HTT P42858 1/20 0.55
SLC10A1 Q14973 1/20 0.55

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
SCHEMBL28965739 1.00 GPR34 (0.69) GPR34P2RY14ALDH1A1MEN1KMT2A
SCHEMBL10727176 0.90 GPR34 (0.73) GPR34ALDH1A1MEN1KMT2ALMNA
SCHEMBL7296506 0.90 GPR34 (0.73) GPR34ALDH1A1MEN1KMT2ALMNA
SCHEMBL7970010 0.90 GPR34 (0.73) GPR34ALDH1A1MEN1KMT2ALMNA
SCHEMBL8078379 0.87 GPR34 (0.66) GPR34P2RY14ALDH1A1MEN1KMT2A
SCHEMBL8078373 0.87 GPR34 (0.66) GPR34P2RY14ALDH1A1MEN1KMT2A
SCHEMBL10724456 0.87 GPR34 (0.83) GPR34ALDH1A1MEN1KMT2ALMNA
SCHEMBL27154066 0.87 GPR34 (0.83) GPR34ALDH1A1MEN1KMT2ALMNA
SCHEMBL7356352 0.84 GPR34 (0.65) GPR34MEN1KMT2APKMHTT
SCHEMBL1459346 0.83 PSMB8 (0.67) ALDH1A1MEN1KMT2AGAAITGB3

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-114645037-A Means and methods for detoxification of ochratoxin A 艾尔柏股份公司 2022-06-21 CN disclosed