SCHEMBL28375783

SCHEMBL28375783

O=C(O)Oc1ccccc1Cc1cccc(OC(=O)Oc2ccccc2)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 1/20 0.39
FDFT1 P37268 2/20 0.38
HRH1 P35367 3/20 0.37
CALM1 P0DP23 1/20 0.37
TSHR P16473 1/20 0.36
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
PPARG P37231 1/20 0.36
KMT2A Q03164 1/20 0.36
NCOA2 Q15596 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
RXFP1 Q9HBX9 1/20 0.36
ABCB1 P08183 1/20 0.36
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
ACHE P22303 1/20 0.36
DPYD Q12882 1/20 0.36
CNR1 P21554 1/20 0.36
GPR55 Q9Y2T6 1/20 0.36

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
SCHEMBL28860367 0.85 HPGD (0.45) HRH1TSHRDRD2
SCHEMBL28055585 0.82 ACHE (0.47) PARP1HRH1CALM1ALDH1A1MAPT
SCHEMBL5478147 0.82 HPGD (0.50) HRH1TSHRDRD2
SCHEMBL28375781 0.79 SRD5A2 (0.50) HRH1ALDH1A1MAPTPPARGKMT2A
SCHEMBL5478146 0.78 HPGD (0.50) HRH1TSHRDRD2
SCHEMBL9244759 0.77 ACHE (0.46) PARP1HRH1KMT2AACHE
SCHEMBL10338678 0.77 TSHR (0.41) HRH1TSHRALDH1A1MAPTKMT2A
SCHEMBL21980935 0.76 TSHR (0.53) TSHRALDH1A1MAPTPPARGKMT2A
SCHEMBL13133127 0.75 PARP1 (0.47) PARP1MAPTKMT2AACHECNR1
SCHEMBL21980920 0.73 KMT2A (0.54) ALDH1A1KMT2ACNR1

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-110945118-A Composition for adding medium, compound for adding medium, and method for culturing cell or tissue using same 日产化学株式会社 2020-03-31 CN disclosed