SCHEMBL28731530

SCHEMBL28731530

O=C(O)c1ccc(-c2ccccc2C2=CCC(O)(O)C=C2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.45
RARB P10826 1/20 0.45
RARG P13631 1/20 0.45
PDK2 Q15119 1/20 0.39
NR1H4 Q96RI1 1/20 0.36
RXRB P28702 1/20 0.36
RXRG P48443 1/20 0.36
CYP2C8 P10632 1/20 0.36
CYP2C9 P11712 1/20 0.36
EGFR P00533 1/20 0.36
MAP4K4 O95819 1/20 0.35
FOLH1 Q04609 1/20 0.35
DAO P14920 1/20 0.35
TSHR P16473 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
OPRD1 P41143 1/20 0.35
PTGER1 P34995 1/20 0.35
SRD5A2 P31213 2/20 0.35
CES2 O00748 1/20 0.35
CES1 P23141 1/20 0.35

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
SCHEMBL31300439 0.87 ALDH1A1 (0.35)
SCHEMBL28333533 0.86 RXRA (0.45) RXRARARBRARGPDK2NR1H4
SCHEMBL25390971 0.74 TSHR (0.62) RXRARARBRARGRXRBRXRG
SCHEMBL23581152 0.74 MMP3 (0.35) CA1CA2
SCHEMBL222999 0.73 ALDH1A1 (0.31)
SCHEMBL36017 0.73 TSHR (0.59) RXRARARBRARGNR1H4RXRB
SCHEMBL31236746 0.73 TSHR (0.59) RXRARARBRARGRXRBRXRG
SCHEMBL31327313 0.73 TSHR (0.59) RXRARARBRARGRXRBRXRG
Biphenyl SCHEMBL28208629 0.72 CYP2A6 (0.43) RXRAPDK2RXRBCYP2C9NPC1
SCHEMBL30697824 0.72

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436817-A Porous hydrogen bond organic skeleton-based fluorescent probe capable of quantitatively detecting hypochlorite and application thereof 福建农林大学 2022-05-06 CN claimed
CN-114436817-B Porous hydrogen bond organic framework-based fluorescent probe capable of quantitatively detecting hypochlorite and application thereof 福建农林大学 2024-02-20 CN disclosed
CN-114436817-A Porous hydrogen bond organic skeleton-based fluorescent probe capable of quantitatively detecting hypochlorite and application thereof 福建农林大学 2022-05-06 CN disclosed