SCHEMBL30685308

SCHEMBL30685308

c1ccc(C2(c3ccc[nH]3)CCc3ccccc3O2)cc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 1/20 0.38
DRD2 P14416 1/20 0.36
HTR2A P28223 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.34
HCAR2 Q8TDS4 1/20 0.33
MEN1 O00255 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
EPHX2 P34913 2/20 0.31
ADRA1D P25100 1/20 0.30
ADRA1A P35348 1/20 0.30
ADRA1B P35368 1/20 0.30
EPHX1 P07099 1/20 0.30

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
SCHEMBL9113086 0.83 SIGMAR1 (0.46) SIGMAR1DRD2HTR2ATRPM8HCAR2
SCHEMBL5885410 0.78 SIGMAR1 (0.40) SIGMAR1DRD2HTR2ATRPM8HCAR2
SCHEMBL7919904 0.74 HCAR2 (0.43) SIGMAR1DRD2HTR2ATRPM8HCAR2
SCHEMBL3433240 0.70 SIGMAR1 (0.48) SIGMAR1DRD2HTR2ATRPM8HCAR2
SCHEMBL28633081 0.69 HCAR2 (0.39) SIGMAR1DRD2HTR2ATRPM8HCAR2
SCHEMBL11274144 0.68 SIGMAR1 (0.42) SIGMAR1DRD2HTR2ATRPM8HCAR2
SCHEMBL11220183 0.67 HSD11B1 (0.46) SIGMAR1DRD2HTR2ATRPM8ADRA1D
SCHEMBL11228399 0.67 SIGMAR1 (0.44) SIGMAR1DRD2HTR2ATRPM8MEN1
SCHEMBL1246125 0.67 SIGMAR1 (0.44) SIGMAR1DRD2HTR2ATRPM8HCAR2
SCHEMBL30637538 0.67 SIGMAR1 (0.44) SIGMAR1DRD2HTR2ATRPM8HCAR2

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-117229269-A Flavonoid compound with antibacterial activity and preparation method and application thereof 云南民族大学 2023-12-15 CN claimed
CN-117229269-A Flavonoid compound with antibacterial activity and preparation method and application thereof 云南民族大学 2023-12-15 CN disclosed
CN-117229269-A Flavonoid compound with antibacterial activity and preparation method and application thereof 云南民族大学 2023-12-15 CN disclosed